Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9433930 | 0.84 | GPBAR1 (0.36) | GPBAR1KCNA5CCNCCDK8ALDH1A1 | |
| SCHEMBL9434105 | 0.81 | RECQL (0.36) | KMT2AALDH1A1ROCK2 | |
| SCHEMBL9433838 | 0.81 | RPS6KA3 (0.50) | GPBAR1CCNCCDK8KMT2AMAPT | |
| SCHEMBL9433530 | 0.80 | RPS6KA3 (0.35) | GPBAR1CCNCCDK8MAPTMMP13 | |
| SCHEMBL9433512 | 0.80 | SLC22A12 (0.41) | GPBAR1CCNCCDK8ALDH1A1MMP13 | |
| SCHEMBL9434027 | 0.80 | SLC22A12 (0.40) | CDK8ALDH1A1LMNAMAPTMMP13 | |
| SCHEMBL9434756 | 0.79 | CYP3A4 (0.39) | GPBAR1CYP17A1 | |
| SCHEMBL9433807 | 0.78 | LIMK1 (0.41) | GPBAR1 | |
| SCHEMBL9434449 | 0.78 | RPS6KA3 (0.46) | GPBAR1CYP17A1MMP13ROCK2IDO1 | |
| SCHEMBL9433871 | 0.78 | PDE4A (0.37) | GPBAR1KCNA5CTSACCNCCDK8 |
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 |