Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 17/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL19231463 | 0.75 | CYP1A2 (0.62) | CYP1A2ALDH1A1HSD17B10CYP2C19TSHR | |
| SCHEMBL20631768 | 0.75 | PIK3CB (0.42) | CYP1A2ALDH1A1HSD17B10CYP2C19TSHR | |
| SCHEMBL30910559 | 0.73 | BRD9 (0.43) | ALDH1A1TSHRSMN1; SMN2HIF1AGAA | |
| SCHEMBL19240472 | 0.73 | BRD9 (0.43) | ALDH1A1TSHRSMN1; SMN2HIF1AGAA | |
| SCHEMBL30473135 | 0.73 | CHEK1 (0.43) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL19231302 | 0.71 | KCNH2 (0.45) | — | |
| SCHEMBL20223112 | 0.69 | BRPF1 (0.40) | CYP1A2ALDH1A1HSD17B10CYP2C19TSHR | |
| SCHEMBL30473131 | 0.69 | BRPF1 (0.40) | CYP1A2ALDH1A1HSD17B10CYP2C19TSHR | |
| SCHEMBL29766461 | 0.68 | CD38 (0.38) | CYP1A2ALDH1A1CYP2C19TSHRCYP2D6 | |
| SCHEMBL21038745 | 0.68 | CYP1A2 (0.53) | CYP1A2ALDH1A1HSD17B10CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009112524-A1 | PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS | 4SC AG (DE) | 2009-09-17 | — | — | WO | disclosed |