Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8565354 | 0.88 | DRD2 (0.36) | SIGMAR1KIF11 | |
| SCHEMBL8564062 | 0.85 | LPL (0.40) | MAPK1 | |
| SCHEMBL8564542 | 0.84 | LPL (0.46) | PTGS2CYP3A4 | |
| SCHEMBL8560062 | 0.83 | LPL (0.47) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8565962 | 0.78 | ACHE (0.41) | MAPTTP53IDO1MAPK1TDP1 | |
| SCHEMBL9006991 | 0.77 | IDO1 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4313730 | 0.75 | TRPA1 (0.41) | IDO1TDO2TRPA1TDP1 | |
| SCHEMBL11603975 | 0.71 | CYP3A4 (0.54) | PTGS2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7380604 | 0.71 | CYP3A4 (0.47) | PTGS2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL24779034 | 0.70 | PTGS2 (0.46) | PTGS2CYP3A4CYP2D6SLC6A2SLC6A4 |
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 |