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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
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 SCHEMBL1517904 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRHDAC4 | |
| Trifluoroacetic Acid SCHEMBL28645679 | 0.88 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNATSHRKMT2A | |
| Ethyl Acetate SCHEMBL9007287 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Ethyl Acetate SCHEMBL10994135 | 0.83 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Ethyl Acetate SCHEMBL5590823 | 0.83 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Trifluoroacetic Acid SCHEMBL28225221 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNAL3MBTL1KMT2A | |
| Ethyl Acetate SCHEMBL28062101 | 0.81 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Ethyl Acetate SCHEMBL7010595 | 0.81 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Ethyl Acetate SCHEMBL28062099 | 0.81 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNATSHRALOX15 | |
| Trifluoroacetic Acid SCHEMBL27515981 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10LMNATSHRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107782821-B | Analysis method of neuromuscular blocking agent | 四川科瑞德制药股份有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-107782821-A | A kind of analysis method of neuromuscular blocking agent | 四川科瑞德制药股份有限公司 | 2018-03-09 | — | — | CN | disclosed |