Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 20/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 19/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 17/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6193922 | 0.91 | ADRA1A (0.44) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL7059965 | 0.81 | DRD2 (0.53) | ADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL6194226 | 0.78 | DRD2 (0.55) | DRD2 | |
| SCHEMBL6196193 | 0.76 | ADRA1A (0.40) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL6194133 | 0.76 | HTR1A (0.51) | DRD2 | |
| SCHEMBL6193940 | 0.76 | DRD2 (0.49) | DRD2 | |
| SCHEMBL6193449 | 0.75 | HTR1A (0.55) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| SCHEMBL6196197 | 0.75 | ADRA1A (0.43) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL6194486 | 0.74 | ALDH1A1 (0.45) | ADRA1AADRA1BADRA1DCYP3A4CYP2C19 | |
| SCHEMBL6754975 | 0.74 | ALDH1A1 (0.45) | ADRA1AADRA1BADRA1DCYP3A4CYP2C19 |
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 | disclosed |