Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8635347 | 0.86 | ITGB3 (0.44) | ITGB3ITGA2BALOX15KHKALDH1A1 | |
| SCHEMBL8631347 | 0.81 | MAPT (0.47) | ITGB3ITGA2BALDH1A1GAA | |
| SCHEMBL8888301 | 0.81 | ITGB3 (0.45) | ITGB3ITGA2BF10HRH3HTR1A | |
| SCHEMBL9079517 | 0.81 | HTR1A (0.41) | ITGB3ITGA2BF10CYP17A1CYP21A2 | |
| SCHEMBL8635350 | 0.77 | HTR1A (0.41) | ITGB3ITGA2BKHKALDH1A1GAA | |
| SCHEMBL7327708 | 0.76 | KHK (0.43) | ITGB3ITGA2BALOX15KHKALDH1A1 | |
| SCHEMBL8635008 | 0.74 | ITGB3 (0.44) | ITGB3ITGA2BALDH1A1GAACHRM1 | |
| SCHEMBL8631350 | 0.73 | MAPT (0.46) | ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL8837976 | 0.73 | ITGB3 (0.43) | ITGB3ITGA2BALDH1A1GAACHRM1 | |
| SCHEMBL8605444 | 0.69 | HRH3 (0.56) | ITGB3ITGA2BHRH3CYP3A4CYP2D6 |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |