Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 8/20 | 0.34 |
| ▸ | RARB | P10826 | 8/20 | 0.34 |
| ▸ | RARG | P13631 | 8/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6668398 | 0.80 | RARA (0.38) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL3302028 | 0.78 | RXRA (0.39) | RARARARBRARGRXRACYP26A1 | |
| SCHEMBL6665606 | 0.76 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9092256 | 0.76 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL8561089 | 0.75 | RARA (0.34) | RARARARBRARG | |
| SCHEMBL4309215 | 0.73 | RARA (0.50) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL29576948 | 0.73 | RARA (0.50) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9006909 | 0.73 | RARA (0.39) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9054107 | 0.72 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9054641 | 0.72 | RARA (0.40) | RARARARBRARGRXRACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0785782-B1 | USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 2004-09-08 | — | — | EP | disclosed |
| 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-5602130-A | ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION | ALLERGAN | 1997-02-11 | — | — | US | disclosed |
| US-5380877-A | Psoriasis treatment; retinoic acid-like activity | ALLERGAN, INC. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | disclosed |
| US-5348972-A | In treatment of skin disorders such as acne and psoriasis | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5248777-A | Inhibitors of ornithine decarboxylase | ALLERGAN, INC. (US) | 1993-09-28 | — | — | US | disclosed |
| US-5234926-A | Skin disorders | ALLERGAN, INC. (US) | 1993-08-10 | — | — | US | disclosed |
| US-5089509-A | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |
| US-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | US | disclosed |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | US | 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 |