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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | GRB2 | P62993 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 SCHEMBL269102 | 0.87 | ALDH1A1 (0.41) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL18167021 | 0.87 | ALDH1A1 (0.41) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL28012644 | 0.84 | ALDH1A1 (0.39) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL630048 | 0.82 | LMNA (0.40) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL5170109 | 0.81 | ALDH1A1 (0.37) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL3055318 | 0.81 | ALDH1A1 (0.38) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL9003919 | 0.81 | ALDH1A1 (0.37) | LMNAALDH1A1TSHRTP53L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL1262416 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53L3MBTL1THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104447953-B | A kind of molecular probe and its preparation method and application | 成都医学院 | 2019-03-29 | — | — | CN | disclosed |