Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 3/20 | 0.34 |
| ▸ | MC5R | P33032 | 2/20 | 0.34 |
| ▸ | MC3R | P41968 | 2/20 | 0.34 |
| ▸ | MC1R | Q01726 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521030 | 0.81 | KDM1A (0.49) | HTR2CHTR2BKDM1AKDM1BKCNN4 | |
| SCHEMBL2158810 | 0.80 | OPRL1 (0.36) | OPRL1 | |
| SCHEMBL5680300 | 0.79 | MEN1 (0.39) | OPRL1KDM1AKDM1B | |
| SCHEMBL28520614 | 0.77 | KDM1A (0.50) | HTR2AHTR2CHTR2BCES2CES1 | |
| SCHEMBL2594172 | 0.76 | KDM1A (0.44) | HTR2CHTR2BKDM1AKDM1BKCNN4 | |
| SCHEMBL900614 | 0.76 | KDM1A (0.45) | KDM1AKCNN4KCNH2 | |
| Water SCHEMBL2458176 | 0.75 | KDM1A (0.44) | KDM1AKCNN4KCNH2 | |
| Hydrochloric Acid SCHEMBL29430083 | 0.75 | KDM1A (0.47) | KDM1AKCNN4KCNH2 | |
| SCHEMBL5899787 | 0.73 | HTR2A (0.42) | OPRL1HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL28514962 | 0.72 | HTR2A (0.38) | HTR2AHTR2CHTR2BCES2CES1 |
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-112142619-B | 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof | 浙江工业大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-112142619-A | 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof | 浙江工业大学 | 2020-12-29 | — | — | CN | disclosed |