Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 7/20 | 0.56 |
| ▸ | RARB | P10826 | 7/20 | 0.56 |
| ▸ | RARG | P13631 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9817784 | 0.89 | RARB (0.61) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817871 | 0.88 | RARA (0.71) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817900 | 0.83 | RARA (0.47) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817818 | 0.82 | RARA (0.42) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817836 | 0.81 | RARB (0.61) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL1485833 | 0.81 | RARA (0.75) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817713 | 0.80 | RARA (0.49) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL7657835 | 0.79 | RARA (0.50) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL19342992 | 0.78 | RARA (0.69) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817808 | 0.78 | RARB (0.58) | RARARARBRARGCYP3A4KMT2A |
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-0290130-B1 | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-11-06 | — | — | EP | disclosed |
| US-4810804-A | PSORIASIS | ALLERGAN, INC. (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0290130-A1 | Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity | ALLERGAN, INC (US) | 1988-11-09 | — | — | EP | disclosed |