Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.45 |
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10441312 | 0.82 | CES2 (0.45) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL5504134 | 0.80 | CES2 (0.44) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL7287698 | 0.80 | CES2 (0.44) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL9670798 | 0.79 | HDAC4 (0.51) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL837009 | 0.77 | HDAC3 (0.45) | CES2CES1CA1HDAC4HDAC7 | |
| SCHEMBL8820615 | 0.74 | TPMT (0.41) | HCAR1 | |
| SCHEMBL28175905 | 0.73 | TPMT (0.39) | HCAR1 | |
| SCHEMBL1398788 | 0.72 | CES2 (0.38) | CES2CES1MDM2HDAC4HDAC7 | |
| SCHEMBL28550048 | 0.71 | APP (0.41) | CES2CES1MDM2SLC6A3 | |
| SCHEMBL28274632 | 0.70 | CES2 (0.46) | CES2CES1MDM2CA12CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101951912-A | Treatment of post-traumatic stress disorder | SYNOSIA THERAPEUTICS | 2011-01-19 | — | — | CN | disclosed |
| CN-101198333-A | Preparation and use of aryl alkyl acid derivatives for the treatment of obesity | BAYER PHARMACEUTICALS CORP (US) | 2008-06-11 | — | — | CN | disclosed |
| CN-1022913-C | Herbicidal compositions containing new pyrrolidine derivative and its preparing method | MITSUI TOATSU CHEMICALS (JP) | 1993-12-01 | — | — | CN | disclosed |
| EP-0387869-B1 | 4-ETHYL-3-(SUBSTITUTED PHENYL)-1-(3-TRIFLUOROMETHYL-PHENYL)-2-PYRROLIDINONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USE THEREOF, HERBICIDAL COMPOSITIONS CONTAINING THEM | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-07-21 | — | — | EP | disclosed |
| US-5131947-A | 4-ETHYL-3-(SUBSTITUTED PHENYL)-1-(3-TRIFLUOROMETHYLPHENYL)-2-PYRROLIDINONE DERIVATIVES, HERBICIDAL COMPOSITIONS CONTAINING THEM AND USE THEREOF | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1992-07-21 | — | — | US | disclosed |
| CN-1045581-A | 4-ethyl-3-(substituted-phenyl)-1-(3-trifluoromethyl)-2-Pyrrolidone derivative, its preparation method contains the herbicidal composition of this derivative as activeconstituents | MITSUI TOATSU CHEMICALS (JP) | 1990-09-26 | — | — | CN | disclosed |
| EP-0387869-A2 | 4-Ethyl-3-(substituted phenyl)-1-(3-trifluoromethyl-phenyl)-2-pyrrolidinone derivatives, processes for the preparation and use thereof, herbicidal compositions containing them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-09-19 | — | — | EP | disclosed |