Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 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 | |
|---|---|---|---|---|
| SCHEMBL9175999 | 0.83 | AKR1B1 (0.32) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL7195927 | 0.81 | AKR1B1 (0.35) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL8558741 | 0.81 | AKR1B1 (0.35) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL5736909 | 0.78 | AKR1B1 (0.35) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL9186993 | 0.77 | AKR1B1 (0.43) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL4370337 | 0.76 | RARB (0.43) | AKR1B1SSTR5 | |
| SCHEMBL7191661 | 0.75 | AKR1B1 (0.43) | AKR1B1CTSDBACE1SSTR5 | |
| SCHEMBL7193654 | 0.75 | AKR1B1 (0.32) | AKR1B1SSTR5 | |
| SCHEMBL8561092 | 0.75 | CYP26A1 (0.32) | — | |
| SCHEMBL9054260 | 0.72 | MAPT (0.42) | AKR1B1CTSDBACE1SSTR5 |
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 24 patents — showing the first 20. 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 |
| US-5677323-A | SKIN DISORDERS, PSORIASIS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |
| 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 |
| EP-0419132-B1 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-09-06 | — | — | EP | 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 |
| US-5407937-A | Skin disorders, skin cancer | ALLERGAN, INC. (US) | 1995-04-18 | — | — | US | disclosed |
| US-5278318-A | Acetylation under Friedel Crafts condition | ALLERGAN, INC. (US) | 1994-01-11 | — | — | US | disclosed |
| US-5183827-A | Skin disorders | ALLERGAN, INC. (US) | 1993-02-02 | — | — | US | 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-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | 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 |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | 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 |
| 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 |