Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15893215 | 0.86 | OPRM1 (0.50) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL20176120 | 0.85 | HIF1A (0.46) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL1492728 | 0.82 | CYP2C19 (0.50) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL28727593 | 0.80 | CYP2C19 (0.48) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL28938744 | 0.80 | CYP2C19 (0.48) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL6722251 | 0.80 | CYP2C19 (0.48) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL28682985 | 0.80 | CYP2C19 (0.48) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL2030597 | 0.78 | MAPT (0.59) | HIF1ACYP2C19KMT2AMAPTCYP1A2 | |
| SCHEMBL8079876 | 0.78 | CYP2C19 (0.47) | HIF1ACYP2C19KMT2AMAPTOPRM1 | |
| SCHEMBL28729111 | 0.78 | CYP2C19 (0.47) | HIF1ACYP2C19KMT2AMAPTOPRM1 |
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-113387781-A | Preparation method of alpha-halogenated ketone compound | 大连凯飞化学股份有限公司 | 2021-09-14 | — | — | CN | disclosed |