Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429103 | 0.87 | ITGB3 (0.70) | S1PR1ITGB3ITGA2BMAOAMAOB | |
| SCHEMBL29098120 | 0.82 | GPR119 (0.54) | S1PR1MAOAMAOBGPR119RAB9A | |
| SCHEMBL30199041 | 0.82 | GPR119 (0.54) | S1PR1MAOAMAOBGPR119RAB9A | |
| SCHEMBL4419892 | 0.81 | ITGB3 (0.59) | ITGB3ITGA2BMAOAMAOB | |
| SCHEMBL4423740 | 0.77 | ITGB3 (0.56) | ITGB3ITGA2BMAOAMAOB | |
| SCHEMBL12953718 | 0.76 | ALDH1A1 (0.47) | ITGB3ITGA2BKDM4EALDH1A1DRD2 | |
| SCHEMBL7300982 | 0.76 | KDM4E (0.55) | ITGB3ITGA2BKDM4EALDH1A1DRD2 | |
| SCHEMBL4418997 | 0.75 | ITGB3 (0.59) | ITGB3ITGA2BMAOAMAOB | |
| SCHEMBL12952775 | 0.74 | ESR2 (0.46) | ITGB3ITGA2BALDH1A1DRD2CD274 | |
| SCHEMBL31108108 | 0.74 | CARM1 (0.49) | KDM4EALDH1A1CARM1DRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501804-B1 | ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | EP | claimed |