Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 10/20 | 0.56 |
| ▸ | RARB | P10826 | 10/20 | 0.56 |
| ▸ | RARG | P13631 | 8/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9007075 | 0.91 | RARB (0.49) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL8630933 | 0.88 | RARA (0.75) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9176476 | 0.87 | RARA (0.46) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9180592 | 0.87 | RARA (0.46) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9182226 | 0.85 | RARA (0.43) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9176529 | 0.85 | RARA (0.44) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9176637 | 0.83 | RARB (0.64) | RARARARBRARGCYP3A4CYP26A1 | |
| SCHEMBL444860 | 0.83 | RARB (0.78) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL10409282 | 0.83 | RARA (0.54) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL8461598 | 0.82 | RARA (0.57) | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5717094-A | 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS | ALLERGAN (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0419131-B1 | Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN INC (US) | 1995-07-05 | — | — | EP | disclosed |
| CN-1028174-C | Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-04-12 | — | — | CN | disclosed |
| US-5278318-A | Acetylation under Friedel Crafts condition | ALLERGAN, INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0553156-A4 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | — | 1993-11-18 | — | — | EP | disclosed |
| US-5248777-A | Inhibitors of ornithine decarboxylase | ALLERGAN, INC. (US) | 1993-09-28 | — | — | US | disclosed |
| EP-0553156-A1 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1993-08-04 | — | — | EP | disclosed |
| US-5162546-A | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-11-10 | — | — | US | disclosed |
| WO-1992006084-A1 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | US | disclosed |
| CN-1050385-A | Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like | ALLERGAN INC (US) | 1991-04-03 | — | — | CN | disclosed |
| EP-0419132-A2 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| EP-0419131-A2 | Acetylenes disubstituted with a phenyl 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 |
| US-4980369-A | ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS | ALLERGAN, INC. (US) | 1990-12-25 | — | — | US | disclosed |