Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3457040 | 0.89 | KIF11 (0.65) | KIF11CYP17A1CYP11B1CYP11B2DRD1 | |
| SCHEMBL12795395 | 0.79 | CYP17A1 (0.47) | KIF11CYP17A1CYP11B1CYP11B2HSD17B10 | |
| SCHEMBL27566614 | 0.79 | KDM4E (0.59) | KIF11HSD17B10ERN1NFE2L2ALDH5A1 | |
| SCHEMBL12037310 | 0.77 | DRD1 (0.47) | KIF11DRD1HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL2012322 | 0.77 | KIF11 (0.54) | KIF11DRD1HSD17B10ERN1PTGS1 | |
| SCHEMBL22459322 | 0.74 | KIF11 (0.61) | KIF11DRD1ERN1PTGS1NFE2L2 | |
| SCHEMBL80458 | 0.74 | — | — | |
| SCHEMBL29481423 | 0.74 | — | — | |
| SCHEMBL16037967 | 0.74 | KIF11 (0.59) | KIF11DRD1HSD17B10ERN1PTGS1 | |
| SCHEMBL2009103 | 0.73 | KIF11 (0.54) | KIF11DRD1HSD17B10PTGS1ALDH1A1 |
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-1326841-A1 | PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SmithKline Beecham P.L.C. (GB) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030904-A1 | PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |