Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.47 |
| ▸ | PPOX | P50336 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7067774 | 0.84 | PPOX (0.47) | ROCK2PPOXADORA3CA9 | |
| SCHEMBL9427767 | 0.82 | PPOX (0.44) | PPOXADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL6659733 | 0.80 | PPOX (0.46) | PPOXALDH1A1 | |
| SCHEMBL9427869 | 0.79 | ABHD16A (0.50) | HTTALDH1A1 | |
| SCHEMBL9120418 | 0.78 | PPOX (0.57) | PPOXALDH1A1 | |
| SCHEMBL29575373 | 0.77 | PPOX (0.45) | ROCK2PPOXADORA3LMNA | |
| SCHEMBL29575134 | 0.76 | PPOX (0.55) | PPOXHTTALDH1A1 | |
| SCHEMBL7658153 | 0.75 | ADORA3 (0.51) | ADORA3HIF1AADORA2AADORA1ALDH1A1 | |
| SCHEMBL9428146 | 0.74 | PPOX (0.45) | PPOX | |
| SCHEMBL10562068 | 0.74 | ROCK2 (0.47) | ROCK2PPOX |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8669371-B2 | Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones | TAGROS CHEMICALS INDIA PVT LTD (IN) | 2014-03-11 | — | — | US | claimed |
| US-20130072689-A1 | Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones | TAGROS CHEMICALS INDIA, LTD. (IN) | 2013-03-21 | — | — | US | claimed |
| US-5468868-A | Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one | FMC CORPORATION (US) | 1995-11-21 | — | — | US | claimed |
| CN-111689915-A | Preparation method of 1- (2, 4-dichlorophenyl) -4-difluoromethyl-3-methyl-1H-1, 2, 4-triazole-5-ketone | 湖南斯派克科技股份有限公司 | 2020-09-22 | — | — | CN | disclosed |
| US-8669371-B2 | Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones | TAGROS CHEMICALS INDIA PVT LTD (IN) | 2014-03-11 | — | — | US | disclosed |
| US-20130072689-A1 | Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones | TAGROS CHEMICALS INDIA, LTD. (IN) | 2013-03-21 | — | — | US | disclosed |
| US-5756755-A | Difluoromethylation of 4,5-dihydro-1-phenyl-3-methyl-1,2,4-triazol-5(1H)-ones with glymes as solvents | FMC CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1997003972-A1 | DIFLUOROMETHYLATION OF A PHENYL TRIAZOLINONE | FMC CORPORATION (US) | 1997-02-06 | — | — | WO | disclosed |
| US-5468868-A | Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one | FMC CORPORATION (US) | 1995-11-21 | — | — | US | disclosed |
| US-5438149-A | Reacting with chlorodifluoromethane and potassium carbonate while heating in solvent of dimethylformamide, 1-methyl-2-pyrrolidone or N,N-dimethylacetamide | FMC CORPORATION (US) | 1995-08-01 | — | — | US | disclosed |