Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | HSPA9 | P38646 | 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 | |
|---|---|---|---|---|
| SCHEMBL7194958 | 0.76 | RARA (0.36) | RARARARBRARGHSPA9 | |
| SCHEMBL6667997 | 0.75 | RARA (0.34) | RARARARBRARG | |
| SCHEMBL9054067 | 0.73 | RARA (0.38) | RARARARBRARGHSPA9 | |
| SCHEMBL7565242 | 0.73 | RARA (0.43) | RARARARBRARGHSPA9 | |
| SCHEMBL9295885 | 0.73 | RARA (0.35) | RARARARBRARGHSPA9 | |
| SCHEMBL9053976 | 0.72 | RARA (0.36) | RARARARBRARGHSPA9 | |
| SCHEMBL3302028 | 0.71 | RXRA (0.39) | RARARARBRARG | |
| SCHEMBL9055225 | 0.70 | RARA (0.38) | RARARARBRARGHSPA9 | |
| SCHEMBL7195651 | 0.70 | HSPA9 (0.47) | RARARARBRARGHSPA9 | |
| SCHEMBL8561808 | 0.69 | AKR1B1 (0.33) | — |
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 6 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 |
| 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 |
| US-5248777-A | Inhibitors of ornithine decarboxylase | ALLERGAN, INC. (US) | 1993-09-28 | — | — | 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 |