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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 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 SCHEMBL27941193 | 1.00 | CA4 (0.38) | CA4CASP1TSHRALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL28322378 | 0.87 | CA4 (0.38) | CA4CASP1ALDH1A1POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL65539 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL28496090 | 0.85 | FAAH (0.37) | CA4TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28078895 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL28342502 | 0.83 | CA4 (0.36) | CA4CASP1CA2 | |
| Trifluoroacetic Acid SCHEMBL358827 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL28839753 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL28688159 | 0.80 | CA4 (0.35) | CA4CASP1CA2 | |
| Trifluoroacetic Acid SCHEMBL28135098 | 0.80 | CA1 (0.38) | CA4CASP1CA2 |
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-109364260-A | Method for enabling gold nanocage complex modified by multistage targeting molecules to enter target tumor cells | 安寿松 | 2019-02-22 | — | — | CN | disclosed |