Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GLA | P06280 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzoylenurea SCHEMBL29460047 | 0.77 | KDM4E (0.45) | KDM4EALDH1A1GLAMAOAHPGD | |
| Benzoylenurea SCHEMBL1752723 | 0.77 | KDM4E (0.45) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL18459121 | 0.77 | KDM4E (0.44) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL20319870 | 0.76 | MAOA (0.54) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL7607540 | 0.75 | GPR3 (0.54) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL31729177 | 0.74 | DCPS (0.63) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL3064850 | 0.74 | DCPS (0.63) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL4058577 | 0.74 | MAOA (0.52) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL28802010 | 0.74 | KDM4E (0.41) | KDM4EALDH1A1GLAMAOAHPGD | |
| SCHEMBL18574483 | 0.74 | GPR3 (0.59) | KDM4EALDH1A1GLAMAOAHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986895-A | Quinazoline ditosylate salt Mutiple Targets antitumoral compounds and its preparation method and application | 北京大学 | 2017-07-28 | — | — | CN | claimed |
| CN-106986895-A | Quinazoline ditosylate salt Mutiple Targets antitumoral compounds and its preparation method and application | 北京大学 | 2017-07-28 | — | — | CN | disclosed |