Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | USP8 | P40818 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | FYN | P06241 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27832176 | 0.86 | MIF (0.63) | ALDH1A1GAAUSP8NPC1RAB9A | |
| SCHEMBL28135004 | 0.84 | NPC1 (0.48) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL218118 | 0.84 | KMT2A (0.57) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL27832191 | 0.82 | CYP11B2 (0.56) | ALDH1A1USP8MAPTCYP19A1MAPK1 | |
| SCHEMBL27832175 | 0.82 | FYN (0.53) | USP8NPC1RAB9AFYNMAPT | |
| Ammonia Solution, Strong SCHEMBL10418488 | 0.82 | KMT2A (0.55) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL15072164 | 0.81 | KMT2A (0.50) | ALDH1A1L3MBTL1FYNKDM4EMEN1 | |
| SCHEMBL2148390 | 0.81 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1FYNKDM4EKMT2A | |
| SCHEMBL25436071 | 0.80 | GRM5 (0.58) | ALDH1A1USP8NPC1RAB9AFYN | |
| SCHEMBL182558 | 0.79 | KMO (0.59) | ALDH1A1GAAL3MBTL1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | disclosed |