Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.48 |
| ▸ | RARA | P10276 | 4/20 | 0.47 |
| ▸ | RARB | P10826 | 4/20 | 0.47 |
| ▸ | RARG | P13631 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 6/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.35 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | CRABP2 | P29373 | 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 | |
|---|---|---|---|---|
| SCHEMBL8892530 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL17885757 | 0.81 | CYP3A4 (0.71) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8875063 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8865464 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8630933 | 0.81 | RARA (0.75) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8874380 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8875775 | 0.76 | RARA (0.51) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8558172 | 0.76 | RARB (0.40) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL8865354 | 0.75 | RARA (0.51) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL996873 | 0.73 | CYP3A4 (0.70) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555235-A4 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | — | 1993-11-10 | — | — | EP | disclosed |
| EP-0555235-A1 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992006092-A1 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |