Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28083559 | 0.87 | ACLY (0.33) | ACLY | |
| Trifluoroacetic Acid SCHEMBL28235039 | 0.86 | ALDH1A1 (0.38) | ACLYALDH1A1TSHRL3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.82 | ALDH1A1 (0.44) | ACLYALDH1A1TSHRL3MBTL1THRB | |
| Fluoroacetate SCHEMBL13651728 | 0.82 | — | — | |
| Fluoroacetate SCHEMBL78188 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.82 | ALDH1A1 (0.44) | ACLYALDH1A1TSHRL3MBTL1THRB | |
| Fluoroacetate SCHEMBL5908770 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109966242-A | A kind of nanogel, preparation method and antitumor medicament-carried nano gel | 中国科学院长春应用化学研究所 | 2019-07-05 | — | — | CN | claimed |
| CN-1406226-A | Novel malonic acid derivatives, process for their preparation, their use as inhibitors of factor XA activity and pharmaceutical compositions containing them | AVENTIS PHARMA GMBH (DE) | 2003-03-26 | — | — | CN | claimed |
| CN-102762586-B | Treatment peptide | 莱特克斯生物制药股份有限公司 | 2016-10-05 | — | — | CN | disclosed |
| EP-1687279-A1 | 7- [4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS | GLAXO GROUP LIMITED (GB) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051916-A1 | 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS | GLAXO GROUP LIMITED (GB) | 2005-06-09 | — | — | WO | disclosed |
| CN-1406226-A | Novel malonic acid derivatives, process for their preparation, their use as inhibitors of factor XA activity and pharmaceutical compositions containing them | AVENTIS PHARMA GMBH (DE) | 2003-03-26 | — | — | CN | disclosed |