Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934157 | 1.00 | CALCRL (0.36) | CALCRLITGB3ITGA2BMC4RHRH2 | |
| SCHEMBL7937510 | 1.00 | CALCRL (0.36) | CALCRLITGB3ITGA2BMC4RHRH2 | |
| Hydrochloric Acid SCHEMBL7363292 | 0.87 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7363298 | 0.87 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7364908 | 0.87 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7363302 | 0.87 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7935156 | 0.84 | ITGB3 (0.39) | ITGB3ITGA2BDPP4DPP8DPP7 | |
| Hydrochloric Acid SCHEMBL7935160 | 0.84 | ITGB3 (0.39) | ITGB3ITGA2BDPP4DPP8DPP7 | |
| SCHEMBL7924899 | 0.84 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7931556 | 0.84 | ITGB3 (0.43) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |