Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543870 | 0.83 | ITGB3 (0.53) | ITGB3ITGA2BDRD2DRD4ALDH1A1 | |
| SCHEMBL8146862 | 0.82 | DRD2 (0.62) | DRD2DRD4 | |
| SCHEMBL8838124 | 0.79 | TRPV1 (0.61) | TRPV1ROCK2ROCK1CYP2C9TSHR | |
| SCHEMBL8548048 | 0.78 | ITGB3 (0.56) | ITGB3ITGA2BALDH1A1NAMPT | |
| SCHEMBL6603738 | 0.77 | CYP2C9 (0.73) | TRPV1CYP2C9TSHRHIF1AALDH1A1 | |
| SCHEMBL5842753 | 0.77 | BDKRB1 (0.51) | CYP2C9TSHR | |
| SCHEMBL27458577 | 0.76 | HTR2A (0.51) | DRD2DRD4 | |
| SCHEMBL16599286 | 0.73 | AKR1C3 (0.58) | TRPV1ITGB3ITGA2BCYP2C9TSHR | |
| SCHEMBL4715494 | 0.73 | CHKA (0.57) | TRPV1ROCK2ROCK1CYP2C9TSHR | |
| SCHEMBL1675734 | 0.73 | F10 (0.54) | — |
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-0783500-B1 | AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS | ZENECA LTD (GB) | 1998-07-22 | — | — | EP | disclosed |