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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 7/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL967503 | 0.86 | TDP1 (0.53) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL27996450 | 0.84 | TDP1 (0.52) | MEN1GAAKMT2ATDP1CTSK | |
| Ammonia Solution, Strong SCHEMBL3290266 | 0.84 | TDP1 (0.52) | MEN1GAAKMT2ATDP1CTSK | |
| Hydroxyamine SCHEMBL10630230 | 0.82 | TDP1 (0.50) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL11168531 | 0.79 | MAOA (0.46) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL14717853 | 0.79 | TDP1 (0.47) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL17792621 | 0.78 | KMT2A (0.53) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL27822268 | 0.78 | MEN1 (0.45) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL10475827 | 0.77 | MEN1 (0.49) | MEN1GAAKMT2ATDP1CTSK | |
| SCHEMBL10475828 | 0.77 | MEN1 (0.49) | MEN1GAAKMT2ATDP1CTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112888677-A | Substituted 4-amino-1H-imidazo [4,5-c ] quinoline compounds and improved process for their preparation | 先天肿瘤免疫公司 | 2021-06-01 | — | — | CN | disclosed |