Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | RARA | P10276 | 3/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.39 |
| ▸ | RARG | P13631 | 3/20 | 0.39 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.39 |
| ▸ | CYP26B1 | Q9NR63 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8865446 | 0.87 | CYP3A4 (0.43) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL8875310 | 0.84 | AKR1B1 (0.37) | AKR1B1CYP26A1CYP26B1 | |
| SCHEMBL5737195 | 0.84 | CYP26A1 (0.47) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL6667768 | 0.83 | CYP26A1 (0.49) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL8874410 | 0.83 | CYP26A1 (0.39) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL8876189 | 0.83 | CYP26A1 (0.43) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL8875244 | 0.83 | AKR1B1 (0.36) | AKR1B1CYP26A1CYP26B1 | |
| SCHEMBL8877098 | 0.81 | AKR1B1 (0.35) | AKR1B1CYP26A1CYP26B1 | |
| SCHEMBL8876277 | 0.80 | AKR1B1 (0.40) | AKR1B1CYP26A1CYP3A4RARARARB | |
| SCHEMBL5735934 | 0.80 | AKR1B1 (0.45) | AKR1B1CYP26A1CYP3A4RARARARB |
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 12 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-5599819-A | SKIN DISORDERS | ALLERGAN | 1997-02-04 | — | — | US | disclosed |
| US-5534516-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 | 1996-07-09 | — | — | US | disclosed |
| EP-0419130-B1 | 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) | 1995-11-15 | — | — | EP | disclosed |
| US-5407937-A | Skin disorders, skin cancer | ALLERGAN, INC. (US) | 1995-04-18 | — | — | 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 |
| 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 |
| US-5183827-A | Skin disorders | ALLERGAN, INC. (US) | 1993-02-02 | — | — | US | 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 |
| 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 |
| EP-0419130-A2 | 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) | 1991-03-27 | — | — | EP | disclosed |