Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 7/20 | 0.39 |
| ▸ | RARB | P10826 | 5/20 | 0.39 |
| ▸ | RARG | P13631 | 5/20 | 0.39 |
| ▸ | RXRB | P28702 | 5/20 | 0.39 |
| ▸ | RXRG | P48443 | 5/20 | 0.39 |
| ▸ | RARA | P10276 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 5/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560124 | 0.88 | RARA (0.52) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8874667 | 0.85 | CYP26A1 (0.40) | CYP3A4CYP26A1RXRARARBRARG | |
| SCHEMBL9180450 | 0.84 | RARB (0.48) | CYP3A4CYP26A1RXRARARBRARG | |
| SCHEMBL8890751 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9318320 | 0.82 | RXRA (0.58) | CYP3A4CYP26A1RXRARARBRARG | |
| SCHEMBL8890799 | 0.81 | GABRP (0.36) | SSTR5AKR1B1 | |
| SCHEMBL8865618 | 0.80 | CYP3A4 (0.39) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8875462 | 0.80 | AKR1B1 (0.36) | CYP26A1AKR1B1 | |
| SCHEMBL8865958 | 0.80 | RARA (0.51) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8890100 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP26A1RXRARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| US-5616597-A | ANTIACNE, ANTIPSORIASIS COMPOUNDS | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| US-5272156-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1993-12-21 | — | — | US | disclosed |
| US-5045551-A | 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) | 1991-09-03 | — | — | US | disclosed |