Known targets — ChEMBL curated mechanism
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
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 5/20 | 0.30 |
| ▸ | CA12 | O43570 | 3/20 | 0.30 |
| ▸ | CA9 | Q16790 | 3/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 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 SCHEMBL332728 | 0.97 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1CA5ACA5BCA2 | |
| Trifluoroacetic Acid SCHEMBL529369 | 0.88 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA5ACA5BTSHR | |
| Trifluoroacetic Acid SCHEMBL10510205 | 0.87 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA5ACA5BCA2 | |
| Trifluoroacetic Acid SCHEMBL2173045 | 0.84 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA2TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL991785 | 0.84 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1CA2TSHRTDP1 | |
| Trifluoroacetic Acid SCHEMBL144167 | 0.84 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA5ACA5BCA2 | |
| Trifluoroacetic Acid SCHEMBL11514100 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.82 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1CA2TSHRTHRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3281942-A1 | B-LACTAMASE INHIBITOR AND APPLICATION THEREOF | Xuanzhu Pharma Co., Ltd. (CN) | 2018-02-14 | — | — | EP | disclosed |