Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8605444 | 0.71 | HRH3 (0.56) | HRH3CYP19A1ITGB3ITGA2B | |
| SCHEMBL27967028 | 0.71 | GPR119 (0.53) | CHRM3MLNRCHRM2CHRM1HTR2A | |
| SCHEMBL7401896 | 0.69 | HRH3 (0.62) | HRH3LSSITGB3ITGA2B | |
| SCHEMBL27663466 | 0.69 | TSHR (0.45) | CHRM3MLNRCHRM2CHRM1HTR2A | |
| Hydrochloric Acid SCHEMBL6207497 | 0.68 | HRH3 (0.61) | HRH3LSSITGB3ITGA2B | |
| SCHEMBL8632715 | 0.68 | HRH3 (0.43) | HRH1HRH3ITGB3ITGA2B | |
| SCHEMBL8633871 | 0.67 | CYP2C9 (0.53) | HRH3LSSITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL8632011 | 0.67 | HRH3 (0.60) | HRH3LSSITGB3ITGA2B | |
| Propiverine SCHEMBL14672394 | 0.67 | CHRM3 (0.95) | CHRM3MLNRCHRM2CHRM1HTR2A | |
| SCHEMBL8632718 | 0.67 | CYP2C9 (0.45) | HRH1HRH3ITGB3ITGA2B |
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 |