Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 15/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 15/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637046 | 0.81 | ADRB2 (0.42) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8635510 | 0.79 | RPLP1 (0.39) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8631565 | 0.69 | ADRB2 (0.44) | ITGB3ITGA2BCYP2C9TSHRCYP3A4 | |
| SCHEMBL8701123 | 0.69 | ADRB2 (0.42) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8633634 | 0.69 | CYP2C9 (0.46) | ITGB3ITGA2BCYP2C9TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL8838142 | 0.68 | ADRB2 (0.41) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| Hydrochloric Acid SCHEMBL8838080 | 0.66 | ADRB2 (0.53) | ITGB3ITGA2BCYP2C9TSHRCYP3A4 | |
| SCHEMBL8632681 | 0.66 | ADRB2 (0.43) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8636233 | 0.66 | CHRM1 (0.39) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8634909 | 0.66 | KDM4E (0.39) | ITGB3ITGA2BCYP2C9TSHRCYP2D6 |
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 |