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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | ARG1 | P05089 | 2/20 | 0.34 |
| ▸ | ARG2 | P78540 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
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 SCHEMBL5608867 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL3424222 | 0.97 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL28133458 | 0.87 | MEN1 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL1350639 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL2263111 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL1350640 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL5608594 | 0.84 | ALDH1A1 (0.42) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL5608598 | 0.84 | ALDH1A1 (0.42) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL6596078 | 0.82 | KDM4E (0.41) | ALDH1A1NOS1NOS2GGT1TSHR | |
| Trifluoroacetic Acid SCHEMBL5183456 | 0.82 | KDM4E (0.41) | ALDH1A1NOS1NOS2GGT1TSHR |
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 |