Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434701 | 0.86 | EGFR (0.40) | CYP3A4CYP19A1CYP2C9CDC7CYP1A1 | |
| SCHEMBL9434449 | 0.86 | RPS6KA3 (0.46) | CYP17A1CDC7PTAFRGPBAR1 | |
| SCHEMBL9433871 | 0.86 | PDE4A (0.37) | CDC7GPBAR1 | |
| SCHEMBL9433838 | 0.84 | RPS6KA3 (0.50) | HSD17B1GPBAR1 | |
| SCHEMBL9434742 | 0.83 | GPBAR1 (0.41) | CYP3A4CYP19A1CYP2C9GPBAR1 | |
| SCHEMBL9434562 | 0.83 | SLC22A12 (0.47) | CYP3A4CYP11B1CYP11B2CDC7CYP1A2 | |
| SCHEMBL9433930 | 0.82 | GPBAR1 (0.36) | CYP3A4CYP2C9CYP1A2GPBAR1 | |
| SCHEMBL9433405 | 0.82 | PDE4A (0.43) | CYP3A4CYP2C9CDC7CYP1A2 | |
| SCHEMBL9434674 | 0.81 | FFAR1 (0.46) | CYP3A4CYP2C9 | |
| SCHEMBL9433809 | 0.79 | GPBAR1 (0.36) | CYP17A1GPBAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276150-A | Vasodilators, anticoagulants, calcium channel blockers | FUJIREBIO INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0400660-A1 | 1,4-dihydropyridine derivatives | FUJIREBIO INC. (JP) | 1990-12-05 | — | — | EP | disclosed |