Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 12/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2268468 | 0.98 | KIF11 (0.56) | KIF11CA1CA2CYP1A2DRD1 | |
| SCHEMBL61631 | 0.91 | CYP1A2 (0.54) | KIF11CA1CA2CYP1A2FBP1 | |
| Hydrochloric Acid SCHEMBL27615734 | 0.89 | CYP1A2 (0.52) | KIF11CA1CA2CYP1A2FBP1 | |
| SCHEMBL16626288 | 0.84 | CYP1A2 (0.48) | KIF11CA1CA2CYP1A2FBP1 | |
| SCHEMBL13221440 | 0.83 | KIF11 (0.56) | KIF11CA1CA2DRD1 | |
| SCHEMBL28461961 | 0.83 | CYP1A2 (0.47) | KIF11CA1CA2CYP1A2FBP1 | |
| SCHEMBL27932513 | 0.81 | SRD5A2 (0.51) | KIF11CYP1A2FBP1 | |
| SCHEMBL13989020 | 0.81 | KIF11 (0.49) | KIF11CA1CA2DRD1 | |
| SCHEMBL28753058 | 0.81 | KIF11 (0.49) | KIF11CA1CA2DRD1 | |
| SCHEMBL10316101 | 0.80 | COMT (0.44) | KIF11CA1CA2CYP1A2 |
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-1392643-A2 | TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | Abbott Laboratories (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002094767-A2 | TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | ABBOTT LABORATORIES (US) | 2002-11-28 | — | — | WO | disclosed |