Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trichloroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL23674235 | 0.79 | — | — | |
| Diethylamine SCHEMBL28252937 | 0.79 | TP53 (0.53) | TSHRTP53ALDH1A1FFAR3MCL1 | |
| Trichloroacetic Acid SCHEMBL2699210 | 0.79 | ALDH1A1 (0.67) | TSHRTP53ALDH1A1FFAR3CYP2D6 | |
| Diethylamine SCHEMBL5874292 | 0.78 | TP53 (0.61) | TSHRTP53ALDH1A1FFAR3MCL1 | |
| Diethylamine SCHEMBL4340639 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL2242176 | 0.78 | TP53 (0.44) | TP53ALDH1A1 | |
| Trichloroacetic Acid SCHEMBL5874964 | 0.77 | TSHR (0.62) | TSHRTP53ALDH1A1FFAR3CYP2D6 | |
| Trichloroacetic Acid SCHEMBL5874825 | 0.76 | TSHR (0.71) | TSHRTP53ALDH1A1FFAR3CYP2D6 | |
| Diethylamine SCHEMBL28871047 | 0.76 | TP53 (0.57) | TSHRTP53ALDH1A1FFAR3MCL1 | |
| Oxalic Acid SCHEMBL5875439 | 0.76 | TP53 (0.57) | TSHRTP53ALDH1A1FFAR3MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |