Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29110069 | 0.90 | KCNH3 (0.46) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL17365662 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL29265647 | 0.83 | CHRNB2 (0.42) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL21894334 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL14621975 | 0.81 | APP (0.50) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL22242112 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL17364384 | 0.81 | CHRNB2 (0.53) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL29971364 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A | |
| SCHEMBL12893079 | 0.80 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4HCAR3GRM5 | |
| SCHEMBL22242109 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP2C19ALDH1A1ALOX15HIF1A |
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-118239953-A | Compounds for the treatment of PI3K gamma mediated diseases and uses thereof | 中国科学院合肥物质科学研究院 | 2024-06-25 | — | — | CN | disclosed |