Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6193389 | 0.91 | HTR1A (0.43) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL6196197 | 0.87 | ADRA1A (0.43) | HTR1AADRA1AADRA1BADRA1DCYP3A4 | |
| SCHEMBL6194122 | 0.82 | HTR1A (0.43) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL6191300 | 0.82 | POLB (0.47) | HTR1ADRD2 | |
| SCHEMBL6194537 | 0.81 | OPRM1 (0.49) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL7250226 | 0.80 | HTR1A (0.44) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL6192917 | 0.80 | DRD2 (0.41) | HTR1AADRA1ADRD2DRD3 | |
| SCHEMBL6194317 | 0.79 | POLB (0.44) | HTR1AADRA1AADRA1BADRA1D | |
| SCHEMBL6194466 | 0.79 | HTR1A (0.55) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL6193639 | 0.78 | OPRM1 (0.43) | ADRA1AADRA1BADRA1DDRD2CYP3A4 |
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-1432701-B1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT | RECORDATI IRELAND LTD (IE) | 2005-12-21 | — | — | EP | claimed |