Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28562828 | 0.98 | FAAH (0.42) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL28392985 | 0.96 | FAAH (0.41) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL28395953 | 0.92 | FAAH (0.50) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL3673750 | 0.90 | FAAH (0.52) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL28925949 | 0.88 | FUCA1 (0.33) | S1PR1S1PR3S1PR2S1PR5 | |
| Trifluoroacetic Acid SCHEMBL5494836 | 0.88 | FAAH (0.47) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL28128351 | 0.88 | FAAH (0.50) | FAAHEPHX1CES1CES2MEN1 | |
| Decane SCHEMBL6353937 | 0.88 | FAAH (0.54) | FAAHEPHX1CES1CES2MEN1 | |
| Heptane SCHEMBL3918420 | 0.88 | FAAH (0.54) | FAAHEPHX1CES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL28015086 | 0.86 | FAAH (0.48) | FAAHEPHX1CES1CES2MEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115963217-B | Detection method of imidapril intermediate and impurity | 北京阳光诺和药物研究股份有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-115963217-A | Method for detecting imidapril intermediate and impurities | 北京阳光诺和药物研究股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-111175387-B | Method for detecting milnacipran isomer | 成都康弘药业集团股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-111175387-A | Method for detecting milnacipran isomer | 成都康弘药业集团股份有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-108226319-A | A kind of method for detecting optical isomer in Rivastigmine patch | 亚宝药业集团股份有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-104792913-B | A kind of Apremilast and the method for separating and detecting of enantiomer thereof | 苏州亚宝药物研发有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104330501-B | A kind of high performance liquid chromatography detects the method for rivastigmine-hydrogentartrate optical isomer | JIANGSU ZHENGDA FENGHAI PHARMACEUTICAL CO., LTD. (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-104792913-A | Separation detection method of apremilast and apremilast enantiomer | SUZHOU YABAO PHARMACEUTICAL RES AND DEV CO LTD | 2015-07-22 | — | — | CN | disclosed |
| CN-104330501-A | Method for detecting rivastigmine tartrate optical isomer by high performance liquid chromatography | JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO LTD | 2015-02-04 | — | — | CN | disclosed |
| EP-1819690-A2 | CHROMAN COMPOUNDS | Pfizer Limited (GB) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006056850-A2 | CHROMAN COMPOUNDS | PFIZER LIMITED (GB) | 2006-06-01 | — | — | WO | disclosed |
| US-6251904-B1 | Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction | PFIZER INC. | 2001-06-26 | — | — | US | disclosed |