Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 13/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 3/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8661901 | 0.77 | AHR (0.35) | — | |
| SCHEMBL570350 | 0.77 | MAPT (0.37) | KDM4EMEN1CYP3A4KMT2A | |
| SCHEMBL9872032 | 0.72 | KDM4E (0.39) | KDM4E | |
| SCHEMBL3894061 | 0.72 | KCNE1 (0.35) | KCNE1KCNQ1KMT2A | |
| SCHEMBL9395036 | 0.71 | KDM4E (0.44) | ABCB1KDM4EABCC9KCNE1KCNQ1 | |
| SCHEMBL9394349 | 0.71 | KDM4E (0.44) | ABCB1KDM4EABCC9KCNE1KCNQ1 | |
| SCHEMBL9395029 | 0.71 | KDM4E (0.44) | ABCB1KDM4EABCC9KCNE1KCNQ1 | |
| Arsenic SCHEMBL8675880 | 0.70 | LMNA (0.34) | KCNE1KCNQ1KMT2A | |
| SCHEMBL2139332 | 0.66 | KDM4E (0.50) | KDM4EKCNE1KCNQ1MEN1KMT2A | |
| SCHEMBL9737788 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | 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 |
| EP-0419130-A2 | Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |