Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.56 |
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27454125 | 0.98 | DRD4 (0.58) | DRD4SLC6A4HRH3ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL9023742 | 0.94 | DRD4 (0.60) | DRD4SLC6A4HRH3ITGB3ITGA2B | |
| SCHEMBL8837987 | 0.91 | ITGB3 (0.63) | DRD4SLC6A4HRH3ITGB3ITGA2B | |
| SCHEMBL7399545 | 0.87 | DRD4 (0.51) | DRD4SLC6A4HRH3ITGB3ITGA2B | |
| SCHEMBL8045431 | 0.86 | KCNH2 (0.69) | HRH1 | |
| SCHEMBL7402389 | 0.83 | DRD4 (0.53) | DRD4SLC6A4HRH3ITGB3ITGA2B | |
| SCHEMBL7126140 | 0.82 | GFER (0.53) | DRD4ITGB3ITGA2BHRH1 | |
| SCHEMBL9834124 | 0.82 | DRD2 (0.66) | DRD4SLC6A4HRH1 | |
| SCHEMBL19107617 | 0.82 | MAPT (0.58) | DRD4SLC6A4HRH1 | |
| SCHEMBL8637843 | 0.82 | HRH3 (0.60) | DRD4SLC6A4HRH3HRH1HRH2 |
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-5700801-A | ANTIINFLAMMATORY AGENTS, BONE DISORDERS | KARL THOMAE, GMBH (DE) | 1997-12-23 | — | — | US | disclosed |