Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL524448 | 0.86 | — | — | |
| SCHEMBL1117804 | 0.75 | — | — | |
| SCHEMBL5356079 | 0.72 | — | — | |
| 1,3-Propanediol SCHEMBL28292877 | 0.70 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL6382911 | 0.68 | — | — | |
| Alcohol SCHEMBL27585293 | 0.68 | ALDH1A1 (0.36) | ALDH1A1 | |
| Benzene SCHEMBL27814108 | 0.68 | FBP1 (0.43) | ALDH1A1TDP1 | |
| Bicarbonate SCHEMBL27967253 | 0.68 | FFAR3 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL2165300 | 0.67 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL2831232 | 0.66 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004071445-A2 | 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-26 | — | — | WO | disclosed |