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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
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 SCHEMBL2048740 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL6912681 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL8610680 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL108299 | 0.92 | — | — | |
| Dichloroacetic Acid SCHEMBL8586625 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL105849 | 0.92 | — | — | |
| Dichloroacetic Acid SCHEMBL8610682 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL6913519 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL7263072 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 | |
| Dichloroacetic Acid SCHEMBL9010333 | 0.92 | LMNA (0.47) | LMNACA4CA1ALDH1A1FAHD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6830704-B2 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| US-20030135016-A1 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6547985-B1 | Adhesive mixture | TOGOSEI CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |