Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 SCHEMBL28849341 | 0.97 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL21632604 | 0.97 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL332728 | 0.87 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30958127 | 0.86 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CA2TSHRCA1 | |
| Trifluoroacetic Acid SCHEMBL30776680 | 0.86 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CA2TSHRCA1 | |
| Trifluoroacetic Acid SCHEMBL3845260 | 0.85 | CA1 (0.47) | ALDH1A1L3MBTL1CA2TSHRCA1 | |
| Trifluoroacetic Acid SCHEMBL30657138 | 0.85 | CA1 (0.47) | ALDH1A1L3MBTL1CA2TSHRCA1 | |
| Trifluoroacetic Acid SCHEMBL529369 | 0.85 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| Trifluoroacetic Acid SCHEMBL10510205 | 0.84 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL19856417 | 0.84 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 |
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 354 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372481-A | The full carbon quaternary carbon-alpha-fluoro alkyl ketone compound of β-and its synthetic method and application | 华东师范大学 | 2019-10-25 | — | — | CN | claimed |
| CN-109705028-A | Pentadentate nitrogen ligand and complex thereof, preparation method and application | 西南科技大学 | 2019-05-03 | — | — | CN | claimed |
| CN-106588628-B | The preparation method of carboxylic acid | 中国科学技术大学 | 2019-04-26 | — | — | CN | claimed |
| CN-109476826-A | High-performance epoxy adhesive composition | 3M创新有限公司 | 2019-03-15 | — | — | CN | claimed |
| CN-104870411-B | Method for producing propylene dichloride | 蓝立方知识产权有限责任公司 | 2018-10-02 | — | — | CN | claimed |
| CN-108473901-A | For lubricating composition by shield sulfydryl phenol | 路博润公司 | 2018-08-31 | — | — | CN | claimed |
| CN-108350149-A | Fast curing and highly thixotropic epoxy adhesive compositions | 3M创新有限公司 | 2018-07-31 | — | — | CN | claimed |
| CN-108137447-A | The method for being used to prepare C3 chloralkanes and C3 chlorinated alkenes compounds | 化学和冶金生产联合体股份公司 | 2018-06-08 | — | — | CN | claimed |
| WO-2018100565-A1 | PROCESS FOR THE PREPARATION OF INDOLINE COMPOUND | GRANULES INDIA LIMITED (IN) | 2018-06-07 | — | — | WO | claimed |
| CN-107922684-A | Resin suitable for use as a tie layer in a multilayer structure and multilayer structure comprising said resin | 陶氏环球技术有限责任公司 | 2018-04-17 | — | — | CN | claimed |
| CN-102316982-A | Alkoxylating method and catalyst thereof | DOW GLOBAL TECHNOLOGIES INC | 2012-01-11 | — | — | CN | claimed |
| CN-102316981-A | Alkoxylation process and catalyst therefor | DOW GLOBAL TECHNOLOGIES INC | 2012-01-11 | — | — | CN | claimed |
| CN-102127002-A | Method for preparing 3,3-diaryl substituted and 3-alkyl-3-aryl substituted oxoindole derivative | UNIV EAST CHINA NORMAL | 2011-07-20 | — | — | CN | claimed |
| CN-102070509-A | Method for preparing 3-allyl-3-hydroxy oxindole | UNIV EAST CHINA NORMAL | 2011-05-25 | — | — | CN | claimed |
| CN-101316832-A | Method for producing delta-9-tetrahydrocannabinol | AMR TECHNOLOGY INC (US) | 2008-12-03 | — | — | CN | claimed |
| CN-101121734-A | Organometallic compounds | ROHM & HAAS ELECT MAT (US) | 2008-02-13 | — | — | CN | claimed |
| CN-1696836-A | Electrophotographic toner and manufacturing method thereof, polyester resin for electrophotographic toner and manufacturing method thereof, electrophotographic developer and image forming method | FUJI XEROX CO LTD (JP) | 2005-11-16 | — | — | CN | claimed |
| CN-1643116-A | Preparation of levulinic acid esters and formic acid esters from biomass and olefins | DU PONT (US) | 2005-07-20 | — | — | CN | claimed |
| CN-1305995-A | Method for preparing 1,4-dihydropyridine compound | PFIZER (US) | 2001-08-01 | — | — | CN | claimed |
| US-3950408-A | Process for preparing [1-oxo-2-cyclopentyl (or 2-isopropyl)-2-methyl-6,7-dichloro-5-indanyloxy] acetic acid | MERCK & CO., INC. (US) | 1976-04-13 | — | — | US | claimed |