Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.66 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.64 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.63 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.56 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22212813 | 0.87 | SLC6A3 (0.59) | L3MBTL1CXCR1CXCR2SLC6A3KCNH2 | |
| SCHEMBL19074879 | 0.82 | CXCR1 (0.64) | CXCR1CXCR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL19074738 | 0.82 | BACE1 (0.53) | L3MBTL1EPHX2KDM4ENPC1ALDH1A1 | |
| SCHEMBL6927893 | 0.81 | CXCR2 (0.68) | CXCR1CXCR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL13702416 | 0.81 | L3MBTL1 (0.68) | L3MBTL1EPHX2POLBMAPK1TRPV1 | |
| SCHEMBL458559 | 0.80 | L3MBTL1 (1.00) | L3MBTL1EPHX2POLBMAPK1ALDH1A1 | |
| SCHEMBL29488316 | 0.80 | L3MBTL1 (1.00) | L3MBTL1EPHX2POLBMAPK1ALDH1A1 | |
| SCHEMBL4504526 | 0.79 | NPC1 (0.65) | CXCR1CXCR2SLC6A3KCNH2TAAR1 | |
| SCHEMBL6931023 | 0.79 | CXCR1 (0.60) | CXCR1CXCR2TRPV1KDM4ENPC1 | |
| SCHEMBL13702303 | 0.78 | L3MBTL1 (0.65) | L3MBTL1EPHX2POLBMAPK1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3757102-A1 | 5-ETHYL-4-METHYL-PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING ACTIVITY AS AGONIST OF TAAR | F. Hoffmann-La Roche AG (CH) | 2020-12-30 | — | — | EP | disclosed |
| WO-2017157873-A1 | 5-ETHYL-4-METHYL-PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING ACTIVITY AS AGONIST OF TAAR | F. HOFFMANN-LA ROCHE AG (CH) | 2017-09-21 | — | — | WO | disclosed |
| EP-3187490-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-07-05 | — | — | EP | disclosed |