Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8636972 | 0.76 | CA12 (0.38) | HRH3CYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL8686318 | 0.76 | ITGB3 (0.43) | HRH3CYP2C9CYP2C19ITGB3ITGA2B | |
| SCHEMBL8701069 | 0.74 | SLC2A1 (0.39) | DRD2HRH3SLC2A1CYP2C9ALDH1A1 | |
| SCHEMBL8634147 | 0.74 | SLC2A1 (0.40) | HRH3TRPV1SLC2A1CYP2C9CYP2C19 | |
| SCHEMBL8633964 | 0.73 | KDM4E (0.45) | HRH3SLC2A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8837939 | 0.73 | ITGB3 (0.40) | HTR1ADRD2HRH3SLC2A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8838192 | 0.72 | KDM4E (0.44) | HRH3SLC2A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8635415 | 0.72 | HSD17B10 (0.39) | HTR1ADRD2HRH3TRPV1CYP2C9 | |
| SCHEMBL7947612 | 0.70 | F2 (0.42) | HTR1ADRD2TRPV1SLC2A1CYP2C9 | |
| SCHEMBL8702212 | 0.70 | CA12 (0.38) | HTR1ADRD2HRH3CYP2C9CYP2C19 |
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 |