Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924777 | 0.84 | ITGB3 (0.37) | ITGB3ITGA2BCASP1CYP3A4CYP2D6 | |
| SCHEMBL7402557 | 0.83 | ALDH1A1 (0.36) | ITGB3ITGA2BCYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL7924843 | 0.81 | DPP8 (0.42) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL7934191 | 0.81 | DPP8 (0.42) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7937532 | 0.78 | ITGB3 (0.34) | ITGB3ITGA2BCASP1CYP3A4CYP2D6 | |
| SCHEMBL7937544 | 0.77 | CASP1 (0.34) | ITGB3ITGA2BCASP1CYP3A4CYP2D6 | |
| SCHEMBL7937541 | 0.77 | ITGB3 (0.40) | ITGB3ITGA2BCASP1ROCK2 | |
| SCHEMBL7403355 | 0.77 | ITGB3 (0.40) | ITGB3ITGA2BCASP1ROCK2 | |
| SCHEMBL7403351 | 0.77 | ITGB3 (0.40) | ITGB3ITGA2BCASP1ROCK2 | |
| SCHEMBL7934164 | 0.68 | CALCRL (0.36) | 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 |