Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085473 | 0.98 | KCNH2 (0.39) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL27916404 | 0.98 | KCNH2 (0.39) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL5466971 | 0.91 | KDM5A (0.37) | HSD17B10KDM5AKDM4CMCHR1SMN1; SMN2 | |
| SCHEMBL28520460 | 0.91 | KDM5A (0.37) | HSD17B10KDM5AKDM4CMCHR1SMN1; SMN2 | |
| SCHEMBL31338860 | 0.91 | KCNH2 (0.43) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL28287951 | 0.91 | KCNH2 (0.43) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL31278663 | 0.91 | KCNH2 (0.43) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| Sulfuric Acid Dimethyl Ester SCHEMBL28177888 | 0.90 | KCNH2 (0.37) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL28108953 | 0.89 | CYP1A2 (0.44) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| Sulfuric Acid Dimethyl Ester SCHEMBL27935080 | 0.88 | KCNH2 (0.39) | KCNH2CACNA1FCHRM2ADRA2BADRA2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107429153-B | Foam-forming composition comprising particulate inorganic material | 益瑞石滑石欧洲公司 | 2021-04-09 | — | — | CN | claimed |
| CN-107429153-B | Foam-forming composition comprising particulate inorganic material | 益瑞石滑石欧洲公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-104837479-B | Vesicle composition, and external preparation for skin and cosmetic containing the same | 株式会社高丝 | 2018-01-09 | — | — | CN | disclosed |
| CN-101394830-A | Cosmetic agents comprising purine and/or purine derivatives I | HENKEL KGAA (DE) | 2009-03-25 | — | — | CN | disclosed |