Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL8634776 | 0.85 | AOC3 (0.38) | AOC3CYP2C9TSHRROCK2ITGB3 | |
| SCHEMBL8633669 | 0.83 | CYP2C9 (0.44) | CYP2C9TSHRROCK2ITGB3ITGA2B | |
| SCHEMBL8630734 | 0.82 | ROCK2 (0.52) | AOC3ROCK2ITGB3ITGA2BALDH1A1 | |
| SCHEMBL8631977 | 0.82 | ROCK2 (0.42) | AOC3CYP2C9TSHRROCK2ITGB3 | |
| SCHEMBL8632221 | 0.80 | TSHR (0.40) | AOC3CYP2C9TSHRROCK2ITGB3 | |
| SCHEMBL8634919 | 0.80 | CYP2C9 (0.37) | AOC3CYP2C9TSHRROCK2ITGB3 | |
| SCHEMBL8699531 | 0.73 | ADRB2 (0.41) | CYP2C9TSHRITGB3ITGA2BHRH3 | |
| SCHEMBL8838126 | 0.73 | CYP2C9 (0.51) | AKR1C3CYP2C9TSHRTRPV1ITGB3 | |
| Hydrochloric Acid SCHEMBL8838111 | 0.71 | CYP2C9 (0.50) | AOC3AKR1C3CYP2C9TSHRTRPV1 | |
| Hydrochloric Acid SCHEMBL8838033 | 0.71 | CYP2C9 (0.50) | AOC3AKR1C3CYP2C9TSHRTRPV1 |
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-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 |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |