DermaDock
In-silico target and skin-permeability screening for dermatological candidates

DermaDock

DermaDock is a web application that predicts which dermatological protein target a candidate molecule may act on, and whether it can cross skin.

It is a free, non-commercial academic research tool. Give DermaDock a chemical structure — nothing else, no assay result and no prior annotation — and it reports which of 35 dermatological protein targets the molecule is most likely to engage, the conditions those targets are treated in, and whether it could plausibly be delivered through skin. When the evidence does not support an answer, it says so instead of guessing.

Open the DermaDock application

What it is for

A dermatology group holding an untested compound — a natural product, a repurposing candidate, a synthetic analogue — has to decide whether it is worth laboratory time before any assay exists to guide them. DermaDock is a triage step for that decision: it narrows thirty-five possibilities to the three or four worth an experiment. It is used by academic dermatology researchers, pharmaceutical and cosmetic scientists, and natural-product groups.

What it reports

Which target

The molecule is docked against 35 protein targets spanning the mechanistic space of small-molecule dermatological therapy, and each result is calibrated so the targets can be compared with one another.

Which disease

Every target in the panel is one that marketed dermatological drugs act on, so each ranked result carries the conditions that target is treated in.

Can it cross skin

A model trained on experimental human-skin measurements predicts the permeability coefficient, and outperforms the lipophilicity equation embedded in most existing tools.

How well it works

72%of 233 benchmark complexes redocked within 2 Å
82%correct target in the top five, of 35
35dermatological targets in the panel

Accuracy is reported openly inside the application, including where the method fails and why. The target-recovery figures are conditional on the molecule's true target being one of the 35 in the panel — which is exactly why the tool is built to be able to decline to answer.

Not a medical device, and not medical advice Output is a computational hypothesis for prioritising laboratory work. It is not evidence of clinical activity or safety, and must never be used to diagnose or treat anyone. Every prediction needs experimental confirmation.

Your structures stay here

Structures submitted to DermaDock are visible only to the account that submitted them, are never shown to other users, and are never transferred off the server that runs the service. They are used only to operate and improve the platform and to report aggregate usage counts. The Privacy Policy sets this out in full.

Why DermaDock asks for your Google account

DermaDock is free and requires no payment. Signing in with Google is how the application knows whose structures are whose. We request exactly three OpenID scopes — openid, email and profile — and we use them for three things:

What we do not request, and could not read: Gmail, Drive, Calendar, Contacts, Photos, or any other Google service. The three scopes above grant no access to any of them.

What we do not do with it: your email address is never sold, never shared with any third party, never sent to any external service, never used for advertising or profiling, and never shown to other users. It stays in the database on the server that runs DermaDock. You can revoke access at any time from your Google account permissions page, and you can ask us to delete your account and every structure you submitted.

Full detail: https://dermadocking.com/privacypolicy

Open the DermaDock application