Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 5/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634772 | 0.86 | GAA (0.39) | CYP2C9TSHRITGB3ITGA2BKDM4E | |
| SCHEMBL8633634 | 0.84 | CYP2C9 (0.46) | CYP2C9TSHRITGB3ITGA2BKDM4E | |
| SCHEMBL8635651 | 0.81 | ALDH1A1 (0.46) | CHRM1CYP2C9TSHRKDM4EGAA | |
| SCHEMBL8631971 | 0.81 | ITGB3 (0.40) | SLC2A1CYP2C9TSHRITGB3ITGA2B | |
| SCHEMBL8635770 | 0.81 | ROCK2 (0.49) | CYP2C9TSHRGAAMAPTHIF1A | |
| SCHEMBL8634909 | 0.80 | KDM4E (0.39) | CHRM1SLC2A1CYP2C9TSHRITGB3 | |
| SCHEMBL8632213 | 0.80 | SLC2A1 (0.43) | CHRM1SLC2A1TSHRKDM4EGAA | |
| SCHEMBL8635264 | 0.75 | CYP2C9 (0.44) | CYP2C9TSHRITGB3ITGA2BKDM4E | |
| SCHEMBL8632705 | 0.73 | CYP2C9 (0.42) | CYP2C9TSHRITGB3ITGA2BKDM4E | |
| SCHEMBL8637046 | 0.72 | ADRB2 (0.42) | CYP2C9TSHRITGB3ITGA2BKDM4E |
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 |