Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9433838 | 0.90 | RPS6KA3 (0.50) | GPBAR1SLC22A12RPS6KA3CCNCCDK8 | |
| SCHEMBL9433530 | 0.88 | RPS6KA3 (0.35) | GPBAR1SLC22A12RPS6KA3CCNCCDK8 | |
| SCHEMBL9433512 | 0.88 | SLC22A12 (0.41) | GPBAR1SLC22A12RPS6KA3SMN1; SMN2CCNC | |
| SCHEMBL9434027 | 0.88 | SLC22A12 (0.40) | SLC22A12RPS6KA3CDK8ALDH1A1MMP13 | |
| SCHEMBL9434303 | 0.85 | SLC22A12 (0.46) | SLC22A12CCNCCDK8ALDH1A1GSK3A | |
| SCHEMBL9433809 | 0.84 | GPBAR1 (0.36) | GPBAR1KCNA5RPS6KA3CCNCCDK8 | |
| SCHEMBL9433650 | 0.84 | L3MBTL1 (0.40) | SLC22A12CYP1A2ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL9434756 | 0.82 | CYP3A4 (0.39) | GPBAR1CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL9433871 | 0.81 | PDE4A (0.37) | GPBAR1KCNA5CCNCCDK8MMP13 | |
| SCHEMBL9434449 | 0.81 | RPS6KA3 (0.46) | GPBAR1RPS6KA3MMP13 |
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 |