Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.32 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6651100 | 0.87 | HRH3 (0.38) | DRD4HRH1SLC6A4HRH3CYP1A2 | |
| SCHEMBL6654159 | 0.83 | TRPM5 (0.40) | DRD4HRH1SLC6A4HRH3CYP1A2 | |
| SCHEMBL6650126 | 0.82 | DRD4 (0.34) | DRD4HRH1HRH3CYP1A2CYP2D6 | |
| SCHEMBL6650011 | 0.81 | DRD4 (0.40) | DRD4HRH1HRH3CYP1A2CYP2D6 | |
| SCHEMBL6649431 | 0.80 | DRD4 (0.37) | DRD4HRH3LMNAMEN1KMT2A | |
| SCHEMBL6653862 | 0.77 | CYP1A2 (0.35) | DRD4HRH1HRH3CYP1A2CYP2D6 | |
| SCHEMBL6650448 | 0.76 | TRPM5 (0.41) | KDM4ELMNAMEN1KMT2ATRPM5 | |
| SCHEMBL6672746 | 0.75 | DRD4 (0.39) | DRD4CYP1A2CYP2D6KDM4ECYP2C9 | |
| SCHEMBL6672324 | 0.75 | KDM4E (0.33) | DRD4CYP1A2CYP2D6KDM4ECYP2C9 | |
| SCHEMBL6649239 | 0.74 | TRPM5 (0.49) | HRH1CYP1A2CYP2D6KDM4ECYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |