Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | CTSE | P14091 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3651872 | 0.88 | ALDH1A1 (0.56) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL6517994 | 0.87 | EPHX2 (0.46) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL17870707 | 0.86 | DRD4 (0.42) | ALDH1A1EPHX2 | |
| SCHEMBL30178438 | 0.85 | GPR119 (0.49) | ALDH1A1EPHX2MAPTHTTCA12 | |
| SCHEMBL6520126 | 0.85 | EPHX2 (0.47) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL1814017 | 0.84 | KDM4E (0.48) | ALDH1A1STSMAPTHTTGPR119 | |
| SCHEMBL4321000 | 0.82 | ALDH1A1 (0.52) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL3652370 | 0.82 | ALDH1A1 (0.52) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL3652372 | 0.82 | ALDH1A1 (0.52) | ALDH1A1EPHX2STSMAPTTP53 | |
| SCHEMBL19873971 | 0.81 | SIGMAR1 (0.41) | EPHX2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3708566-B1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RES & DEV (FR) | 2023-02-08 | — | — | EP | disclosed |