Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 18/20 | 0.69 |
| ▸ | DRD2 | P14416 | 16/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.64 |
| ▸ | HRH1 | P35367 | 3/20 | 0.59 |
| ▸ | HTR1A | P08908 | 3/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.59 |
| ▸ | HRH2 | P25021 | 2/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.59 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.59 |
| ▸ | HTR2B | P41595 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.59 |
| ▸ | DRD5 | P21918 | 1/20 | 0.59 |
| ▸ | HTR1B | P28222 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HTR7 | P34969 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
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 SCHEMBL7202732 | 0.89 | DRD3 (0.64) | DRD3DRD2KCNH2CHRM3 | |
| SCHEMBL4390849 | 0.89 | DRD3 (0.62) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4378938 | 0.88 | DRD3 (0.63) | DRD3DRD2KCNH2HRH1HTR1A | |
| Hydrochloric Acid SCHEMBL7201490 | 0.88 | DRD3 (0.61) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4387221 | 0.87 | DRD3 (0.62) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4384764 | 0.87 | DRD3 (0.65) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4389062 | 0.86 | DRD3 (0.63) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4382046 | 0.86 | DRD3 (0.64) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4380177 | 0.86 | DRD3 (0.64) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4387104 | 0.85 | DRD3 (0.59) | DRD3DRD2KCNH2HRH1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144405-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-6602867-B1 | Triazole compounds with dopamine-D3-receptor affinity | ABBOTT LABORATORIES | 2003-08-05 | — | — | US | disclosed |