Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL859809 | 0.80 | KDM4E (0.47) | DHFRGSK3BADKKDM4EMCL1 | |
| SCHEMBL860239 | 0.74 | PPARG (0.54) | DHFRGSK3BADKKDM4EMCL1 | |
| SCHEMBL860254 | 0.71 | PPARA (0.40) | DHFRGSK3BADKKDM4EMCL1 | |
| SCHEMBL21044546 | 0.70 | KDM4E (0.51) | DHFRGSK3BADKKDM4EMCL1 | |
| SCHEMBL6922777 | 0.68 | KDM4E (0.52) | DHFRGSK3BADKKDM4EMCL1 | |
| SCHEMBL10644853 | 0.68 | PIN1 (0.63) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL2614365 | 0.67 | KDM4E (0.60) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL18803860 | 0.67 | KDM4E (0.51) | DHFRKDM4EALDH1A1TYMPTGFBR1 | |
| SCHEMBL27263879 | 0.67 | ALDH1A1 (0.53) | DHFRGSK3BADKKDM4EALDH1A1 | |
| SCHEMBL1455734 | 0.66 | DHFR (0.53) | DHFRGSK3BADKKDM4EALDH1A1 |
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-109970752-A | A kind of synthetic method of chirality 4- loop coil pyrazole compound | 浙江工业大学 | 2019-07-05 | — | — | CN | disclosed |