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 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Dichloroacetic Acid SCHEMBL5874727 | 0.86 | KDM5A (0.46) | LMNACA12CA9CA2DRD3 | |
| Bicarbonate SCHEMBL5875232 | 0.81 | CA12 (0.50) | LMNACA12CA9CA2DRD3 | |
| Bicarbonate SCHEMBL5875239 | 0.81 | CA12 (0.50) | LMNACA12CA9CA2DRD3 | |
| Methylmalonic Acid SCHEMBL5874817 | 0.80 | CA12 (0.41) | CA12CA9CA2DRD3ADRA1A | |
| Methylmalonic Acid SCHEMBL5874814 | 0.80 | CA12 (0.41) | CA12CA9CA2DRD3ADRA1A | |
| Cadaverine Tartrate SCHEMBL5874575 | 0.80 | TSHR (0.50) | LMNACA12CA9CA2DRD3 | |
| Lactic Acid SCHEMBL21145132 | 0.80 | TP53 (0.55) | CA12CA9CA2DRD3ADRA1A | |
| Cadaverine Tartrate SCHEMBL5874580 | 0.80 | TSHR (0.50) | LMNACA12CA9CA2DRD3 | |
| Dichloroacetic Acid SCHEMBL5874087 | 0.79 | LMNA (0.56) | LMNADRD3ADRA1ACHRM1AKR1A1 | |
| Oxalic Acid SCHEMBL5874925 | 0.78 | CA12 (0.48) | CA12CA9CA2DRD3HDAC1 |
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 |