Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | FAP | Q12884 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7448765 | 1.00 | ITGB3 (0.45) | ITGB3ITGA2BMMP2CYP2D6TSHR | |
| SCHEMBL7368990 | 0.94 | ITGB3 (0.51) | ITGB3ITGA2BMMP2 | |
| SCHEMBL7368980 | 0.94 | ITGB3 (0.51) | ITGB3ITGA2BMMP2 | |
| SCHEMBL7366256 | 0.86 | KDM4E (0.44) | ITGB3ITGA2BMMP2TSHRCYP3A4 | |
| SCHEMBL7366261 | 0.86 | KDM4E (0.44) | ITGB3ITGA2BMMP2TSHRCYP3A4 | |
| SCHEMBL7368983 | 0.85 | CYP2D6 (0.41) | ITGB3ITGA2BMMP2CYP2D6TSHR | |
| SCHEMBL7368598 | 0.84 | KDM4E (0.52) | TSHRCYP3A4CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL7368594 | 0.84 | KDM4E (0.52) | TSHRCYP3A4CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL7370702 | 0.82 | ITGB3 (0.46) | ITGB3ITGA2BCYP2D6TSHRCYP3A4 | |
| SCHEMBL7935145 | 0.82 | ITGB3 (0.46) | ITGB3ITGA2BCYP2D6TSHRCYP3A4 |
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 3 patents. 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 |
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |