Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5492894 | 0.79 | LDHA (0.38) | LDHASRRPOLBTSHRCA12 | |
| SCHEMBL28934980 | 0.69 | LDHA (0.53) | LDHASRRTSHR | |
| SCHEMBL819956 | 0.69 | LDHA (0.53) | LDHASRRTSHR | |
| SCHEMBL9502520 | 0.69 | TSHR (0.46) | TSHR | |
| SCHEMBL1072716 | 0.69 | ALDH1A1 (0.39) | TSHRCYP2C19HIF1ACA12CA14 | |
| Malonic Acid SCHEMBL28613455 | 0.69 | LDHA (0.53) | LDHASRRPOLBFNTAFNTB | |
| SCHEMBL37772 | 0.67 | LDHA (0.50) | LDHASRRTSHR | |
| SCHEMBL2587467 | 0.67 | — | — | |
| SCHEMBL180823 | 0.67 | — | — | |
| SCHEMBL10391174 | 0.67 | LDHA (0.50) | LDHASRRTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109593032-A | A kind of co-production of malonic acid and sodium oxalate | 山西凯力德精细化学品科技有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-102249921-B | 2-(2,3-3,5-dimethylphenyl) diester malonate, Preparation Method And The Use | SHANGHAI SYNFARM PHARMACEUTICAL TECHNOLOGY CO.,LTD. (CN) | 2015-09-09 | — | — | CN | disclosed |