Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.68 |
| ▸ | RARA | P10276 | 13/20 | 0.62 |
| ▸ | RARB | P10826 | 13/20 | 0.62 |
| ▸ | RARG | P13631 | 13/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20848213 | 0.86 | RARA (0.61) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL17885757 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6665694 | 0.82 | CYP3A4 (0.70) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL5485071 | 0.82 | CYP3A4 (0.70) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL30374281 | 0.82 | CYP3A4 (0.69) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL860637 | 0.82 | CYP3A4 (0.69) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL14330777 | 0.81 | CYP3A4 (0.84) | CYP3A4CYP26A1RARARARBRARG | |
| Tazarotenic Acid SCHEMBL29433140 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARARARBRARG | |
| Tazarotenic Acid SCHEMBL29466098 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARARARBRARG | |
| Tazarotenic Acid SCHEMBL678713 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARARARBRARG |
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-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |