Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 SCHEMBL5608578 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20479433 | 0.97 | CYP1A2 (0.39) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5360185 | 0.85 | CYP1A2 (0.38) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5608598 | 0.84 | ALDH1A1 (0.42) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5608594 | 0.84 | ALDH1A1 (0.42) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Pivalate SCHEMBL4928422 | 0.81 | CYP2D6 (0.41) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Bicarbonate SCHEMBL1896980 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1TSHRARG1 | |
| Bicarbonate SCHEMBL1896976 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1TSHRARG1 | |
| Trifluoroacetic Acid SCHEMBL2267588 | 0.81 | ALDH1A1 (0.44) | CYP1A2CYP2D6NOS1NOS2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL17093726 | 0.79 | NOS1 (0.37) | NOS1NOS2GGT1DPP8DPP7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1827439-A2 | NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-09-05 | — | — | EP | claimed |
| WO-2006055503-A2 | NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-05-26 | — | — | WO | claimed |
| EP-1827439-A2 | NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006055503-A2 | NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-05-26 | — | — | WO | disclosed |