Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9747444 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KIF11 | |
| SCHEMBL7871395 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KIF11 | |
| SCHEMBL9629047 | 0.79 | CES2 (0.39) | CES2CES1 | |
| SCHEMBL6313808 | 0.79 | KIF11 (0.36) | ALDH1A1KIF11 | |
| SCHEMBL29620304 | 0.79 | KIF11 (0.36) | ALDH1A1KIF11 | |
| SCHEMBL24427744 | 0.77 | CYP3A4 (0.33) | ALDH1A1 | |
| SCHEMBL10215365 | 0.77 | KDM1A (0.33) | — | |
| SCHEMBL9748388 | 0.77 | NOTUM (0.36) | ALDH1A1 | |
| SCHEMBL112835 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CES2CES1 | |
| SCHEMBL22507898 | 0.76 | MEN1 (0.35) | ALDH1A1CES2CES1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5082971-A | TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-21 | — | — | US | claimed |
| EP-0315863-A2 | Trifluoromethylamino benzenes containing fluorine, and their preparation | BAYER AG (DE) | 1989-05-17 | — | — | EP | claimed |
| WO-2022190859-A1 | METAL NANOPARTICLE-CONTAINING DISPERSION COMPOSITION | 株式会社ダイセル | 2022-09-15 | — | — | WO | disclosed |
| US-5082971-A | TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-21 | — | — | US | disclosed |
| US-4963181-A | Fungicidal 3-cyano-4-phenyl-pyrrole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-16 | — | — | US | disclosed |
| US-4952601-A | Fungicidal 3-cyano-4-phenyl-pyrrole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |
| EP-0339422-A1 | 3-Cyano-4-phenyl-pyrrole derivatives | BAYER AG (DE) | 1989-11-02 | — | — | EP | disclosed |
| EP-0315869-A2 | 3-Cyano-4-(2,4-difluor-3-phenyl)-pyrrole | BAYER AG (DE) | 1989-05-17 | — | — | EP | disclosed |
| EP-0315863-A2 | Trifluoromethylamino benzenes containing fluorine, and their preparation | BAYER AG (DE) | 1989-05-17 | — | — | EP | disclosed |