Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 15/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.38 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9557095 | 0.92 | ALDH1A1 (0.53) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557611 | 0.89 | CYP19A1 (0.42) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557636 | 0.85 | CYP3A4 (0.51) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557380 | 0.85 | HSP90AA1 (0.46) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557361 | 0.84 | CYP3A4 (0.39) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557060 | 0.83 | KMT2A (0.48) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557231 | 0.83 | CYP19A1 (0.39) | CYP3A4ALDH1A1CYP19A1HSP90AA1CYP2C9 | |
| SCHEMBL9557482 | 0.83 | KMT2A (0.58) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557096 | 0.83 | KMT2A (0.58) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9557377 | 0.83 | KMT2A (0.46) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 |
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 |