Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL14716322 | 0.93 | CYP2D6 (0.50) | CYP2D6CYP3A4TSHROPRM1SIGMAR1 | |
| SCHEMBL1313447 | 0.82 | CYP2D6 (0.50) | CYP2D6CYP3A4TSHROPRM1SIGMAR1 | |
| SCHEMBL16684766 | 0.76 | OPRL1 (0.51) | CYP2D6CYP3A4TSHRSIGMAR1GAA | |
| SCHEMBL28282362 | 0.76 | CYP2D6 (0.51) | CYP2D6CYP3A4TSHROPRM1GAA | |
| SCHEMBL6603001 | 0.75 | OPRM1 (0.47) | CYP2D6TSHROPRM1SIGMAR1ALDH1A1 | |
| SCHEMBL3272594 | 0.74 | CYP2D6 (0.49) | CYP2D6CYP3A4TSHRGAACHRM2 | |
| SCHEMBL12596337 | 0.74 | CYP3A4 (0.51) | CYP2D6CYP3A4TSHRSIGMAR1GAA | |
| SCHEMBL14342254 | 0.74 | NPFFR1 (0.48) | CYP2D6CYP3A4TSHRALDH1A1 | |
| SCHEMBL12372531 | 0.73 | CYP2D6 (0.51) | CYP2D6CYP3A4TSHROPRM1GAA | |
| SCHEMBL27926426 | 0.73 | CYP2D6 (0.47) | CYP2D6CYP3A4TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796466-A4 | ANTIBACTERIAL AGENTS | GLAXO GROUP LTD (GB) | 2009-09-02 | — | — | EP | disclosed |
| EP-1796466-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006002047-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2006-01-05 | — | — | WO | disclosed |