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 | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
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 SCHEMBL5874927 | 0.86 | LMNA (0.50) | LMNACA12CA1CA9CA2 | |
| Dichloroacetic Acid SCHEMBL28618943 | 0.85 | KDM5A (0.44) | KDM5ALMNAPHF8KDM4CTHRA | |
| Bicarbonate SCHEMBL5874864 | 0.83 | CA12 (0.54) | KDM5ACA12CA1CA9PHF8 | |
| Bicarbonate SCHEMBL5874857 | 0.83 | CA12 (0.54) | KDM5ACA12CA1CA9PHF8 | |
| Hexane SCHEMBL27866712 | 0.83 | LMNA (0.59) | LMNACA2MAPK1GPR84FFAR1 | |
| Lactic Acid SCHEMBL23361679 | 0.82 | TP53 (0.50) | KDM5ACA12CA1CA9PHF8 | |
| Cadaverine Tartrate SCHEMBL5875368 | 0.82 | KDM5A (0.46) | KDM5ACA12CA1CA9PHF8 | |
| Methylmalonic Acid SCHEMBL5874387 | 0.82 | KDM5A (0.46) | KDM5ACA12CA1CA9PHF8 | |
| Methylmalonic Acid SCHEMBL5874382 | 0.82 | KDM5A (0.46) | KDM5ACA12CA1CA9PHF8 | |
| Cadaverine Tartrate SCHEMBL5875373 | 0.82 | KDM5A (0.46) | KDM5ACA12CA1CA9PHF8 |
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 |