Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14320787 | 0.78 | CDK8 (0.47) | KHKPOLBKDM4EALDH1A1MAP4K4 | |
| SCHEMBL27948440 | 0.72 | MAP4K1 (0.39) | KDM4EALDH1A1CDK8 | |
| SCHEMBL7708038 | 0.70 | MAP4K4 (0.41) | KHKPOLBKDM4EALDH1A1MAP4K4 | |
| SCHEMBL22616944 | 0.69 | MAP4K4 (0.60) | KHKPOLBKDM4EALDH1A1MAP4K4 | |
| SCHEMBL28479299 | 0.69 | DHFR (0.37) | POLBKDM4EALDH1A1 | |
| SCHEMBL23195814 | 0.65 | MAPK8 (0.47) | KHKPOLBKDM4EALDH1A1CDK8 | |
| SCHEMBL6661385 | 0.64 | DHFR (0.33) | — | |
| SCHEMBL21135462 | 0.64 | PTGS1 (0.47) | KHKPOLBKDM4EALDH1A1MAP4K4 | |
| SCHEMBL2320238 | 0.64 | ADORA2A (0.69) | KHKPOLBKDM4EALDH1A1MAP4K4 | |
| SCHEMBL6740561 | 0.64 | DOT1L (0.71) | KHK |
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-103492389-A | Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors | ORIGENIS GMBH | 2014-01-01 | — | — | CN | disclosed |