Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | DGAT2 | Q96PD7 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2856304 | 0.92 | KEAP1 (0.53) | KEAP1NFE2L2DGAT2EPHX1POLB | |
| SCHEMBL2852520 | 0.92 | TP53 (0.47) | DGAT2POLBTP53KDM4EALDH1A1 | |
| SCHEMBL2854462 | 0.90 | KEAP1 (0.48) | KEAP1NFE2L2EPHX1CCR1KDM4E | |
| SCHEMBL2854330 | 0.89 | CCR1 (0.52) | USP2POLBCCR1 | |
| SCHEMBL2856294 | 0.89 | CCR1 (0.49) | KEAP1NFE2L2EPHX1CCR1KDM4E | |
| SCHEMBL2853364 | 0.86 | CCR1 (0.52) | KEAP1NFE2L2EPHX1CCR1KDM4E | |
| SCHEMBL2853277 | 0.86 | CCR1 (0.50) | DGAT2POLBTP53CCR1SMN1; SMN2 | |
| SCHEMBL2852633 | 0.84 | TAAR1 (0.57) | TP53KDM4EALDH1A1LMNA | |
| SCHEMBL2852545 | 0.84 | NPBWR1 (0.42) | USP2POLBTP53CCR1KDM4E | |
| SCHEMBL2856625 | 0.84 | TSHR (0.48) | CCR1SMN1; SMN2SMOLMNA |
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-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | claimed |