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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 SCHEMBL332728 | 0.91 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1CA5ACA5BTSHR | |
| Trifluoroacetic Acid SCHEMBL19856417 | 0.88 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA5ACA5BTSHR | |
| Trifluoroacetic Acid SCHEMBL5242831 | 0.87 | FFAR3 (0.54) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL30619382 | 0.87 | FFAR3 (0.54) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL29465551 | 0.87 | FFAR3 (0.54) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL479935 | 0.87 | FFAR3 (0.54) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL1977391 | 0.87 | FFAR3 (0.54) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL144167 | 0.85 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA5ACA5BTSHR | |
| Trifluoroacetic Acid SCHEMBL14354064 | 0.84 | FFAR3 (0.50) | ALDH1A1L3MBTL1FFAR3LCKFYN | |
| Trifluoroacetic Acid SCHEMBL3464123 | 0.84 | FFAR3 (0.50) | ALDH1A1L3MBTL1FFAR3LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012014127-A1 | 5-LIPOXYGENASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2012-02-02 | — | — | WO | disclosed |