Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PNP | P00491 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 2/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | MGMT | P16455 | 2/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2385672 | 0.85 | PNP (0.44) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| SCHEMBL27752224 | 0.84 | CYP2C19 (0.43) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| Sulfuric Acid SCHEMBL9697728 | 0.81 | CYP2C19 (0.43) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| SCHEMBL2983851 | 0.78 | PNP (0.49) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| Water SCHEMBL9697811 | 0.76 | PNP (0.47) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| SCHEMBL218669 | 0.76 | MGMT (0.45) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| SCHEMBL41788 | 0.76 | PNP (0.50) | CYP1A2CYP2C19PNPDPP4GDA | |
| Bromide SCHEMBL8165615 | 0.75 | MGMT (0.44) | CYP1A2CYP2C19HSD17B10PNPDPP4 | |
| SCHEMBL20867 | 0.74 | ATAD2 (0.53) | CYP1A2CYP2C19PNPDPP4GDA | |
| SCHEMBL1843777 | 0.74 | PNP (0.49) | CYP1A2CYP2C19HSD17B10PNPDPP4 |
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-105592850-A | Inhibitors of ACK1/TNK2 tyrosine kinase | H LEE MOFFITT CANCER CT &RES | 2016-05-18 | — | — | CN | disclosed |