Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | HPD | P32754 | 1/20 | 0.40 |
| ▸ | MPL | P40238 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL115659 | 0.76 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL2960949 | 0.76 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL27866247 | 0.74 | ALDH1A1 (0.62) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL3717282 | 0.70 | CES2 (0.43) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL29540816 | 0.70 | MAPT (0.57) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL1451777 | 0.70 | MAPT (0.57) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL2960943 | 0.70 | CES2 (0.52) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL1447588 | 0.70 | KDM4E (0.53) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL17730406 | 0.70 | KDM4E (0.44) | KDM4EALDH1A1HPGDHSD17B10CES2 | |
| SCHEMBL27966822 | 0.70 | CES2 (0.52) | KDM4EALDH1A1HPGDHSD17B10CES2 |
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-2841421-B1 | AMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2019-06-05 | — | — | EP | disclosed |