Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10559569 | 0.83 | ALDH1A1 (0.55) | MAPTHTTLMNAHDAC1HDAC6 | |
| SCHEMBL9864864 | 0.83 | PTPN1 (0.49) | CYP19A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL673406 | 0.81 | LMNA (0.53) | CYP19A1CYP11B1CYP11B2CYP3A4CYP2C9 | |
| SCHEMBL17208333 | 0.81 | KDM4E (0.50) | CYP19A1CYP11B1CYP11B2MAPTHTT | |
| SCHEMBL16563433 | 0.80 | CYP19A1 (0.52) | CYP19A1CYP11B1CYP11B2HTR2AHTR2C | |
| SCHEMBL8137901 | 0.78 | L3MBTL1 (0.54) | CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13781424 | 0.78 | HDAC1 (0.50) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7293623 | 0.78 | HTT (0.63) | CYP19A1MAPTHTTLMNAHDAC1 | |
| SCHEMBL412906 | 0.78 | HDAC1 (0.49) | CYP19A1MAPTHTTHDAC1HDAC6 | |
| SCHEMBL6558375 | 0.78 | CYP1A2 (0.59) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-0174769-B1 | ANTIFUNGAL AZOLE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-11-21 | — | — | EP | disclosed |
| US-4925863-A | 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-15 | — | — | US | disclosed |
| EP-0174769-A1 | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-19 | — | — | EP | disclosed |