Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.50 |
| ▸ | HRH1 | P35367 | 4/20 | 0.49 |
| ▸ | HRH2 | P25021 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699939 | 0.76 | HRH3 (0.44) | HRH3HRH1HRH2ALDH1A1CYP2C9 | |
| SCHEMBL8654423 | 0.73 | ITGB3 (0.45) | HRH3HRH1HRH2ITGB3ITGA2B | |
| SCHEMBL8634182 | 0.73 | HRH3 (0.65) | HRH3HRH1HRH2ITGB3ITGA2B | |
| SCHEMBL8683517 | 0.73 | CHRNA7 (0.35) | HRH3 | |
| SCHEMBL8633634 | 0.71 | CYP2C9 (0.46) | HRH3HRH1HRH2ITGB3ITGA2B | |
| SCHEMBL7400708 | 0.71 | HRH3 (0.54) | HRH3HRH1HRH2 | |
| SCHEMBL8635262 | 0.70 | ITGB3 (0.48) | HRH3HRH1HRH2ITGB3ITGA2B | |
| SCHEMBL8637843 | 0.69 | HRH3 (0.60) | HRH3HRH1HRH2ALDH1A1CYP2D6 | |
| SCHEMBL8630665 | 0.69 | HRH3 (0.49) | HRH3HRH1HRH2 | |
| SCHEMBL8696504 | 0.69 | HRH3 (0.51) | HRH3HRH1HRH2ITGB3ITGA2B |
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 |