Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21835203 | 0.82 | SYK (0.38) | CYP2C19SLC6A2SLC6A4SLC6A3NPSR1 | |
| SCHEMBL5071497 | 0.80 | NFE2L2 (0.38) | SLC6A2SLC6A4SLC6A3NPSR1NFE2L2 | |
| SCHEMBL10956473 | 0.80 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3NPSR1KDM4E | |
| SCHEMBL7727749 | 0.80 | ACP3 (0.41) | CYP2C19SLC6A2SLC6A4SLC6A3TDP1 | |
| SCHEMBL21835285 | 0.79 | PDE7A (0.53) | NPSR1HSD17B10KDM4E | |
| SCHEMBL9034402 | 0.75 | CYP2C19 (0.49) | CYP2C19SLC6A2SLC6A4SLC6A3NPSR1 | |
| SCHEMBL1515754 | 0.75 | SLC6A2 (0.57) | CYP2C19SLC6A2SLC6A4SLC6A3NPSR1 | |
| SCHEMBL3398965 | 0.75 | CYP19A1 (0.39) | CYP2C19SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL17842516 | 0.74 | CYP2C19 (0.47) | CYP2C19SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL2725980 | 0.73 | SMN1; SMN2 (0.38) | SLC6A2SLC6A4SLC6A3NPSR1TDP1 |
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-1896394-A1 | SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | The Regents of the University of California (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006138510-A1 | SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-12-28 | — | — | WO | disclosed |