Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dichloroacetic 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28240840 | 0.86 | LMNA (0.38) | LMNAALDH1A1CHRM1CHRM3AKR1A1 | |
| Dichloroacetic Acid SCHEMBL11051447 | 0.82 | LMNA (0.42) | LMNAALDH1A1CHRM1CHRM3CHRM2 | |
| Chloroform SCHEMBL27284102 | 0.80 | TSHR (0.35) | LMNAALDH1A1CHRM1CHRM3TDP1 | |
| Acetone SCHEMBL9130913 | 0.80 | CHRM2 (0.39) | LMNAALDH1A1CHRM1CHRM3TDP1 | |
| SCHEMBL1828280 | 0.80 | TP53 (0.40) | LMNAALDH1A1CHRM1CHRM3AKR1A1 | |
| SCHEMBL28089159 | 0.79 | FFAR3 (0.39) | LMNAALDH1A1CHRM1CHRM3HDAC1 | |
| Dichloroacetic Acid SCHEMBL5874927 | 0.79 | LMNA (0.50) | LMNAALDH1A1CHRM1CHRM3AKR1A1 | |
| Bicarbonate SCHEMBL60768 | 0.78 | FFAR3 (0.44) | LMNAALDH1A1CHRM1CHRM3HDAC1 | |
| Bicarbonate SCHEMBL378701 | 0.78 | FFAR3 (0.44) | LMNAALDH1A1CHRM1CHRM3HDAC1 | |
| Methylmalonic Acid SCHEMBL5875075 | 0.78 | TP53 (0.38) | LMNAALDH1A1CHRM1CHRM3AKR1A1 |
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 |