Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 20/20 | 0.66 |
| ▸ | RARG | P13631 | 20/20 | 0.66 |
| ▸ | RARA | P10276 | 17/20 | 0.66 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8631951 | 0.86 | RARB (0.49) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL30590593 | 0.80 | RARB (1.00) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8633424 | 0.77 | RARB (0.49) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8633754 | 0.76 | RARB (0.80) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL17675629 | 0.73 | RARB (1.00) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL31725168 | 0.73 | RARB (1.00) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8866611 | 0.72 | RARB (0.63) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL9484205 | 0.72 | RARB (0.67) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL9483506 | 0.72 | RARB (0.67) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL29353973 | 0.70 | RARB (1.00) | RARBRARGRARACYP26A1CYP3A4 |
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-0825986-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1998-03-04 | — | — | EP | claimed |
| WO-1996036609-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-11-21 | — | — | WO | claimed |