Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18496747 | 0.81 | CHRM3 (0.43) | CYP2C9HIF1ACYP2C19 | |
| SCHEMBL8632778 | 0.71 | CYP2C9 (0.44) | LSSF10CYP2C9ITGB3ITGA2B | |
| SCHEMBL2942824 | 0.70 | ITGB3 (0.63) | LSSITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL1025272 | 0.69 | ITGB3 (0.59) | ITGB3ITGA2BDPP4DPP8DPP9 | |
| Trifluoroacetic Acid SCHEMBL6066623 | 0.69 | DPP4 (0.53) | LSSCYP2C9ITGB3ITGA2BCYP2D6 | |
| Trifluoroacetic Acid SCHEMBL1456260 | 0.69 | DPP4 (0.53) | LSSCYP2C9ITGB3ITGA2BCYP2D6 | |
| Trifluoroacetic Acid SCHEMBL6066398 | 0.69 | DPP4 (0.53) | LSSCYP2C9ITGB3ITGA2BCYP2D6 | |
| Hydrochloric Acid SCHEMBL2948256 | 0.69 | ITGB3 (0.62) | LSSITGB3ITGA2B | |
| SCHEMBL3440253 | 0.69 | ACHE (0.63) | — | |
| SCHEMBL8633130 | 0.69 | F10 (0.52) | F10CYP2C9CYP2D6SMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |