Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8837993 | 0.81 | HRH3 (0.48) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8838107 | 0.80 | HRH3 (0.47) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| SCHEMBL8838126 | 0.79 | CYP2C9 (0.51) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| SCHEMBL8635008 | 0.79 | ITGB3 (0.44) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| SCHEMBL8838175 | 0.79 | CHKA (0.52) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| SCHEMBL8838198 | 0.78 | GAA (0.44) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8838111 | 0.78 | CYP2C9 (0.50) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| SCHEMBL8837938 | 0.78 | CHKA (0.47) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8838033 | 0.78 | CYP2C9 (0.50) | ITGB3ITGA2BHRH3CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8837976 | 0.78 | ITGB3 (0.43) | ITGB3ITGA2BHRH3CYP2C9TSHR |
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 |