Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.39 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9557887 | 0.89 | KDM4E (0.38) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9556996 | 0.88 | HSP90AA1 (0.43) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557573 | 0.87 | CYP19A1 (0.43) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557099 | 0.87 | ALDH1A1 (0.43) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557465 | 0.87 | CYP19A1 (0.40) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557593 | 0.85 | KDM4E (0.39) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557305 | 0.84 | HSP90AA1 (0.43) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557220 | 0.83 | KMT2A (0.41) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557492 | 0.83 | KDM4E (0.39) | CYP19A1UGT1A4PDE4DKDM4EALOX15 | |
| SCHEMBL9557004 | 0.83 | CYP3A4 (0.43) | CYP19A1UGT1A4PDE4DKDM4EHSP90AA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0251775-B1 | ALPHA-ARYL-ALPHA-PHENYLETHYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES | ROHM AND HAAS COMPANY (US) | 1993-01-20 | — | — | EP | disclosed |
| US-5087635-A | Funcicides | ROHM AND HAAS COMPANY (US) | 1992-02-11 | — | — | US | disclosed |
| EP-0251775-A2 | Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles | ROHM AND HAAS COMPANY (US) | 1988-01-07 | — | — | EP | disclosed |