Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688949 | 0.93 | MAPK1 (0.49) | MAPK1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6689603 | 0.91 | MAPK1 (0.48) | CYP1A1CYP1B1MAOBMAPK1L3MBTL1 | |
| SCHEMBL6686093 | 0.90 | MAPK1 (0.52) | CYP1A1CYP1B1MAPK1L3MBTL1NPC1 | |
| SCHEMBL6691516 | 0.89 | MAPK1 (0.53) | CYP1A1CYP1B1MAOBMAPK1L3MBTL1 | |
| SCHEMBL6687978 | 0.89 | MAPT (0.47) | CYP1A1CYP1B1MAPK1NPC1RAB9A | |
| SCHEMBL6678023 | 0.89 | MAPT (0.47) | CYP1A1CYP1B1MAPK1NPC1RAB9A | |
| SCHEMBL6678974 | 0.89 | MAPT (0.47) | MAPK1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6691771 | 0.89 | MAPT (0.47) | MAPK1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6689634 | 0.89 | MAPK1 (0.63) | CYP1A1CYP1B1MAPK1L3MBTL1NPC1 | |
| SCHEMBL6684359 | 0.84 | ALDH1A1 (0.52) | CYP1A1CYP1B1MAOBRAB9ACYP1A2 |
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 2 patents. 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 | claimed |
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | disclosed |