Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7934162 | 1.00 | CALCRL (0.36) | CALCRLITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL7934164 | 1.00 | CALCRL (0.36) | CALCRLITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL7934156 | 0.79 | CALCRL (0.36) | CALCRLITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL7934157 | 0.79 | CALCRL (0.36) | CALCRLITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL7937510 | 0.79 | CALCRL (0.36) | CALCRLITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL7362308 | 0.76 | ITGB3 (0.42) | ITGB3ITGA2BALDH1A1LMNA | |
| SCHEMBL7362312 | 0.76 | ITGB3 (0.42) | ITGB3ITGA2BALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL7368003 | 0.76 | ITGB3 (0.41) | ITGB3ITGA2BMMP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7935203 | 0.75 | ALDH1A1 (0.43) | ITGB3ITGA2BMMP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7935207 | 0.75 | ALDH1A1 (0.43) | ITGB3ITGA2BMMP2ALDH1A1LMNA |
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 |