Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL860638 | 0.92 | CYP3A4 (0.36) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6670288 | 0.87 | CYP26A1 (0.39) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6671545 | 0.83 | CYP3A4 (0.42) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL5485075 | 0.83 | BACE1 (0.39) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL180443 | 0.82 | CYP3A4 (0.38) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL1271404 | 0.81 | CYP3A4 (0.54) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL1078963 | 0.79 | CYP3A4 (0.60) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL28489810 | 0.79 | GRM5 (0.50) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6665003 | 0.79 | RARB (0.44) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL20636822 | 0.77 | CYP3A4 (0.41) | CYP3A4RARARARBRARGKMT2A |
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 |