Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20657077 | 0.87 | EGFR (0.47) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| SCHEMBL57892 | 0.83 | EGFR (0.50) | EGFRPIK3CDPIK3CAPI4KAPI4K2B | |
| SCHEMBL8128384 | 0.76 | EGFR (0.53) | EGFRPIK3CDPIK3CAPI4KAPI4K2B | |
| Anthraquinone SCHEMBL20262985 | 0.75 | EGFR (0.41) | EGFRPIK3CDPIK3CAPI4KAPI4K2B | |
| SCHEMBL20657080 | 0.74 | EGFR (0.61) | EGFRPIK3CDPIK3CAPI4KAPI4K2B | |
| SCHEMBL4141797 | 0.72 | RAF1 (0.40) | EGFRPIK3CDPIK3CATDO2 | |
| SCHEMBL11275324 | 0.71 | EGFR (0.36) | EGFRPIK3CDPIK3CATDO2 | |
| Benzene SCHEMBL27725171 | 0.71 | ALDH1A1 (0.68) | KDM4EALDH1A1HIF1ACYP1B1HSD17B10 | |
| SCHEMBL4985353 | 0.70 | EGFR (0.65) | EGFRPIK3CDPIK3CAPI4KAPI4K2B | |
| SCHEMBL31124778 | 0.70 | EGFR (0.65) | EGFRPIK3CDPIK3CAPI4KAPI4K2B |
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-109790394-B | Pyrimidoquinazoline pigment, process for producing pyrimidoquinazoline pigment, and pigment colorant | 大日精化工业株式会社 | 2020-05-22 | — | — | CN | disclosed |