Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.63 |
| ▸ | DHODH | Q02127 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 10/20 | 0.50 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.49 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | PTGFR | P43088 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070214 | 0.80 | KDM4E (0.64) | DHODHDHFRNPBWR1AKT1AKT2 | |
| SCHEMBL28185361 | 0.79 | PDE10A (0.59) | PDE10ADHODHKCNH2KDM4EALDH1A1 | |
| SCHEMBL28536199 | 0.79 | PDE10A (0.69) | PDE10ADHODHKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28529940 | 0.78 | PDE10A (0.73) | PDE10ADHODHKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL2125225 | 0.78 | PDE10A (1.00) | PDE10AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28170329 | 0.78 | PDE10A (0.58) | PDE10ADHODHDHFRKDM4EALDH1A1 | |
| SCHEMBL28185368 | 0.78 | PDE10A (0.67) | PDE10AKDM4EALDH1A1L3MBTL1PTGFR | |
| SCHEMBL1229501 | 0.78 | KDM4E (0.60) | DHODHDHFRNPBWR1AKT1AKT2 | |
| SCHEMBL10102671 | 0.77 | DHODH (0.46) | DHODHDHFRNPBWR1DGAT1KCNH2 | |
| SCHEMBL12352239 | 0.77 | KDM4E (0.69) | DHODHDHFRAKT1AKT2KDM4E |
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-107428691-A | Bicyclic formamides of 2 aryl quinoline 4 of substituted N and application thereof | 拜耳制药股份公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107074773-A | Substituted N, the formamide of 2 biaryl quinolin 4 and application thereof | 拜耳制药股份公司 | 2017-08-18 | — | — | CN | disclosed |