Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL22439709 | 0.94 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22439733 | 0.92 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22407117 | 0.89 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL23925318 | 0.89 | KMT2A (0.43) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL30089753 | 0.89 | KMT2A (0.43) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL28922872 | 0.89 | KMT2A (0.43) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22406966 | 0.89 | KMT2A (0.43) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22439722 | 0.86 | POLB (0.43) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22439716 | 0.85 | KMT2A (0.38) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA | |
| SCHEMBL22407085 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19HSP90AA1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3712135-A1 | AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE | Kureha Corporation (JP) | 2020-09-23 | — | — | EP | disclosed |