Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 2/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.46 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560062 | 0.99 | LPL (0.47) | LPLLIPGPPARADRD2OPRM1 | |
| SCHEMBL8651256 | 0.99 | LPL (0.47) | LPLLIPGPPARADRD2OPRM1 | |
| SCHEMBL8564062 | 0.96 | LPL (0.40) | LPLLIPGPPARADRD2OPRM1 | |
| SCHEMBL8565354 | 0.90 | DRD2 (0.36) | DRD2OPRM1DRD3OPRD1OPRK1 | |
| SCHEMBL8566368 | 0.84 | PTGS2 (0.39) | CYP3A4PTGS2 | |
| SCHEMBL27657598 | 0.74 | LPL (0.53) | LPLLIPGPPARADRD2OPRM1 | |
| SCHEMBL290381 | 0.72 | PPARA (0.51) | LPLLIPGPPARAPPARGCYP3A4 | |
| SCHEMBL19542673 | 0.72 | LPL (0.49) | LPLLIPGPPARAPPARGCYSLTR2 | |
| SCHEMBL2464423 | 0.72 | LPL (0.54) | LPLLIPGPPARADRD2OPRM1 | |
| SCHEMBL8565962 | 0.72 | ACHE (0.41) | OPRM1OPRD1OPRK1 |
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 8 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 |
| US-5248777-A | Inhibitors of ornithine decarboxylase | ALLERGAN, INC. (US) | 1993-09-28 | — | — | US | disclosed |
| EP-0290130-B1 | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-11-06 | — | — | EP | 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 |
| US-4810804-A | PSORIASIS | ALLERGAN, INC. (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0290130-A1 | Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity | ALLERGAN, INC (US) | 1988-11-09 | — | — | EP | disclosed |