Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843845 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9195224 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9735927 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2HSP90AA1 | |
| SCHEMBL9735922 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2HSP90AA1 | |
| SCHEMBL9203186 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9194976 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9275654 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL6946056 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9204062 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL9204066 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | claimed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | claimed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |