Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.77 |
| ▸ | LDHA | P00338 | 1/20 | 0.69 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL28216714 | 0.88 | LDHA (0.75) | TSHRLDHASRRLMNAEGLN1 | |
| Chloroacetic Acid SCHEMBL1331987 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL19089 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.88 | TSHR (1.00) | TSHRLDHASRRLMNAEGLN1 | |
| Chloroacetic Acid SCHEMBL1330649 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL11373277 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL6916907 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL5701068 | 0.84 | TSHR (0.91) | TSHRLDHASRRLMNAEGLN1 | |
| Chloroacetic Acid SCHEMBL21752873 | 0.84 | — | — |
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-108383716-A | A kind of method for selective synthesis of chloroacetic acid | 西安凯立新材料股份有限公司 | 2018-08-10 | — | — | CN | disclosed |