Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 6/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031894 | 0.96 | NR1I2 (0.43) | NR1I2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4033769 | 0.93 | MAPK14 (0.41) | NR1I2MAPK14 | |
| SCHEMBL302056 | 0.90 | TP53 (0.46) | CYP1A2CYP3A4CYP2C19MEN1POLB | |
| SCHEMBL13848693 | 0.85 | MAPK14 (0.40) | NR1I2MAPK14 | |
| SCHEMBL304557 | 0.85 | MAPK14 (0.39) | NR1I2POLBMAPK14 | |
| SCHEMBL4035041 | 0.83 | BRAF (0.45) | MAPK14BRAF | |
| SCHEMBL4034420 | 0.83 | MAPK14 (0.40) | MAPK14 | |
| SCHEMBL4014620 | 0.82 | NPC1 (0.46) | NR1I2POLBMAPK14PPARGPPARA | |
| SCHEMBL4037467 | 0.82 | MAPK14 (0.34) | NR1I2MAPK14 | |
| SCHEMBL4031354 | 0.81 | MAPK14 (0.39) | MAPK14BRAF |
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 |
|---|---|---|---|---|---|---|---|
| JP-4850824-B2 | — | — | 2012-01-11 | — | — | JP | claimed |
| EP-1725544-A1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-11-29 | — | — | EP | claimed |
| WO-2005090333-A1 | 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-29 | — | — | WO | claimed |