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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7814389 | 0.91 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1THRBTSHRTP53 | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.91 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1THRBTSHRTP53 | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL1553710 | 0.89 | FFAR3 (0.47) | ALDH1A1L3MBTL1THRBTSHRTP53 | |
| Trifluoroacetic Acid SCHEMBL28656103 | 0.89 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1THRBTSHRTP53 | |
| Trifluoroacetic Acid SCHEMBL23043250 | 0.87 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1THRBTSHRTP53 | |
| Trifluoroacetic Acid SCHEMBL20541014 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL22712611 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107710462-A | Electrochemical hydrogen storage electrode and battery | 巴斯夫公司 | 2018-02-16 | — | — | CN | claimed |
| CN-107710462-A | Electrochemical hydrogen storage electrode and battery | 巴斯夫公司 | 2018-02-16 | — | — | CN | disclosed |
| EP-0498941-A2 | Peptide skeletal muscle relaxants | BOC Health Care, Inc. (US) | 1992-08-19 | — | — | EP | disclosed |