Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.61 |
| ▸ | CYP17A1 | P05093 | 9/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11287252 | 0.91 | CYP17A1 (0.74) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL5382493 | 0.85 | CYP19A1 (0.47) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL11242107 | 0.83 | CYP19A1 (0.63) | CYP19A1CYP17A1MEN1CYP3A4ADRA1A | |
| SCHEMBL1267769 | 0.83 | CYP17A1 (0.82) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL11436593 | 0.82 | CYP26A1 (0.52) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| Bromide SCHEMBL28938866 | 0.81 | CYP17A1 (0.80) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| Hydrochloric Acid SCHEMBL28285792 | 0.81 | CYP17A1 (0.80) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL11245762 | 0.80 | CYP19A1 (0.66) | CYP19A1CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL9490860 | 0.80 | CYP19A1 (0.66) | CYP19A1CYP17A1MEN1KMT2ACYP26A1 | |
| SCHEMBL11275821 | 0.79 | CYP17A1 (0.51) | CYP19A1CYP17A1MEN1NR1I2USP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |