Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28571 | 0.93 | PDE10A (0.52) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| Water SCHEMBL16742371 | 0.91 | PDE10A (0.50) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| SCHEMBL30961661 | 0.91 | PDE10A (0.50) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| Ethane SCHEMBL11413846 | 0.91 | PDE10A (0.50) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| Hydrochloric Acid SCHEMBL29004253 | 0.91 | PDE10A (0.50) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| Acetaldehyde SCHEMBL11425484 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| SCHEMBL8174635 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL28560110 | 0.83 | CYP1A2 (0.47) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| SCHEMBL28242358 | 0.83 | NCF1 (0.48) | ALDH1A1HPGDALOX15HSD17B10PDE10A | |
| SCHEMBL19508472 | 0.81 | NQO2 (0.56) | ALDH1A1PDE10AKDM4ECYP1A2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243047-B | The double aryl ureas of quinokysalines with VEGFR-2 and B-raf double inhibition effect and its derivative, preparation method and applications | 江苏神华药业有限公司 | 2019-07-23 | — | — | CN | claimed |
| CN-106243047-A | There are the double aryl ureas of quinokysalines and derivant, the preparation method and applications of VEGFR 2 and B raf double inhibition effect | 江苏神华药业有限公司 | 2016-12-21 | — | — | CN | claimed |
| CN-106243047-B | The double aryl ureas of quinokysalines with VEGFR-2 and B-raf double inhibition effect and its derivative, preparation method and applications | 江苏神华药业有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-109988117-A | The preparation method of a kind of 3- methyl-quinoxaline -2 (1H) -one analog derivative | 湖南科技学院 | 2019-07-09 | — | — | CN | disclosed |
| CN-109988117-A | The preparation method of a kind of 3- methyl-quinoxaline -2 (1H) -one analog derivative | 湖南科技学院 | 2019-07-09 | — | — | CN | disclosed |
| CN-106243047-A | There are the double aryl ureas of quinokysalines and derivant, the preparation method and applications of VEGFR 2 and B raf double inhibition effect | 江苏神华药业有限公司 | 2016-12-21 | — | — | CN | disclosed |