Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 3/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | INHA | P05111 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | TRPV2 | Q9Y5S1 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8651251 | 0.99 | LPL (0.49) | LPLLIPGCYP19A1PPARGCNR1 | |
| SCHEMBL8560059 | 0.99 | LPL (0.49) | LPLLIPGCYP19A1PPARGCNR1 | |
| SCHEMBL8564060 | 0.95 | LPL (0.42) | LPLLIPGCYP19A1PPARGCNR1 | |
| SCHEMBL8565352 | 0.89 | CNR1 (0.36) | LPLLIPGCYP19A1CNR1CNR2 | |
| SCHEMBL8566364 | 0.83 | DDB1 (0.37) | TRPA1 | |
| SCHEMBL27879406 | 0.82 | LPL (0.47) | LPLLIPGPPARGPPARA | |
| SCHEMBL8651255 | 0.81 | LPL (0.44) | LPLLIPGCYP19A1PPARGCNR1 | |
| SCHEMBL674816 | 0.77 | LPL (0.54) | LPLLIPGPPARGKCNH2PPARA | |
| SCHEMBL27344351 | 0.77 | LPL (0.54) | LPLLIPGCYP19A1PPARGCNR1 | |
| SCHEMBL10610847 | 0.76 | LPL (0.56) | LPLLIPGPPARGSLC6A2SLC6A4 |
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 |