Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 4/20 | 0.46 |
| ▸ | CYP26B1 | Q9NR63 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 3/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 4/20 | 0.41 |
| ▸ | RARB | P10826 | 4/20 | 0.41 |
| ▸ | RARG | P13631 | 4/20 | 0.41 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31583317 | 0.82 | RXRA (0.46) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL6669631 | 0.79 | MAP3K14 (0.43) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL6668106 | 0.77 | MAP3K14 (0.41) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL6146899 | 0.76 | CYP26A1 (0.69) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL3525050 | 0.76 | ALDH1A1 (0.59) | USP2ALDH1A1LMNAGAAHPGD | |
| SCHEMBL6667725 | 0.74 | SKP2 (0.41) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL3260843 | 0.74 | CYP3A4 (0.50) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL5835328 | 0.74 | RARA (0.40) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL3346290 | 0.74 | RARB (0.64) | CYP26A1CYP26B1RXRAHNF4ARARA | |
| SCHEMBL9144307 | 0.74 | KDM4E (0.54) | CYP26A1CYP26B1RXRAHNF4ARARA |
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-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |