Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | BCR | P11274 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9272650 | 0.85 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19PPARD | |
| SCHEMBL9022060 | 0.83 | CYP3A4 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9871573 | 0.83 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CYP19A1 | |
| SCHEMBL9823992 | 0.82 | KDM4A (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9203686 | 0.82 | CYP3A4 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL10726056 | 0.82 | CYP19A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CYP19A1 | |
| SCHEMBL10333953 | 0.81 | LMNA (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL9824107 | 0.80 | TSHR (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL9823573 | 0.77 | CYP19A1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL3319305 | 0.75 | CYP19A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 |
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-0301393-B1 | 1,4-DISUBSTITUTED 1-AZOLYL-3,3-DYMETHYLBUTANE DERIVATIVES | BAYER AG (DE) | 1991-08-14 | — | — | EP | disclosed |
| US-4968712-A | PHYTOPATHOGENS, AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0301393-A1 | 1,4-Disubstituted 1-azolyl-3,3-dymethylbutane derivatives | BAYER AG (DE) | 1989-02-01 | — | — | EP | disclosed |