Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.65 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10530024 | 0.89 | CYP19A1 (0.68) | CYP19A1CYP17A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL10378520 | 0.84 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10379311 | 0.83 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10379543 | 0.80 | POLB (0.46) | CYP19A1POLBMEN1KMT2A | |
| SCHEMBL9334845 | 0.79 | CYP19A1 (1.00) | CYP19A1CYP17A1CYP1A2CYP2D6MAPK1 | |
| SCHEMBL10527409 | 0.79 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10378527 | 0.79 | SLC6A3 (0.46) | CYP19A1KDM4EPOLBMAPTMEN1 | |
| SCHEMBL10527457 | 0.77 | CYP19A1 (0.97) | CYP19A1CYP17A1CYP1A2CYP2D6MAPK1 | |
| SCHEMBL10529876 | 0.77 | CYP19A1 (0.43) | CYP19A1CYP17A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL10379790 | 0.77 | LMNA (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4797411-A | ANTITUMOR AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1989-01-10 | — | — | US | disclosed |
| EP-0253681-A2 | Cycloalkyl-substituted 4-pyridyl derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-01-20 | — | — | EP | disclosed |