Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634756 | 0.78 | ITGB3 (0.43) | ITGB3ITGA2BOPRM1GAAKDM4E | |
| SCHEMBL8636259 | 0.77 | NPY2R (0.35) | ITGB3ITGA2BCA12CA1CA2 | |
| SCHEMBL8634084 | 0.76 | CA12 (0.40) | ITGB3ITGA2BCA12CA1CA2 | |
| SCHEMBL8702212 | 0.74 | CA12 (0.38) | ITGB3ITGA2BCA12CA1CA2 | |
| SCHEMBL8633913 | 0.73 | HRH3 (0.35) | ITGB3ITGA2BCA12CA1CA2 | |
| SCHEMBL8636972 | 0.69 | CA12 (0.38) | ITGB3ITGA2BCA12CA1CA2 | |
| SCHEMBL8630664 | 0.69 | CYP2D6 (0.48) | ITGB3ITGA2BOPRM1GAAKDM4E | |
| SCHEMBL8634711 | 0.69 | CA12 (0.44) | CA12CA1CA2CA9GAA | |
| SCHEMBL8635011 | 0.69 | ITGB3 (0.48) | ITGB3ITGA2BOPRM1GAASMN1; SMN2 | |
| SCHEMBL8634151 | 0.68 | ITGB3 (0.43) | ITGB3ITGA2BOPRM1GAAKDM4E |
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 |