Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 17/20 | 0.55 |
| ▸ | DRD2 | P14416 | 15/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.55 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4384802 | 0.93 | DRD3 (0.54) | DRD3DRD2KCNH2ALDH1A1 | |
| SCHEMBL4387200 | 0.88 | DRD3 (0.58) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4385575 | 0.88 | DRD3 (0.45) | DRD3DRD2KCNH2HRH1 | |
| SCHEMBL4392618 | 0.87 | DRD3 (0.57) | DRD3DRD2KCNH2HRH1HTR1A | |
| SCHEMBL4390866 | 0.86 | DRD3 (0.56) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4392626 | 0.86 | DRD3 (0.58) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4386303 | 0.86 | DRD3 (0.55) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4394660 | 0.85 | DRD3 (0.60) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4385475 | 0.85 | DRD3 (0.60) | DRD3DRD2KCNH2HRH1ALDH1A1 | |
| SCHEMBL4380463 | 0.84 | DRD3 (0.55) | DRD3DRD2KCNH2HRH1ALDH1A1 |
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 |