Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8786682 | 0.82 | CES2 (0.42) | CES2CES1MAP2K2MAP2K1KDM4E | |
| SCHEMBL2579485 | 0.81 | LMNA (0.41) | DGAT1LMNAXBP1KMT2APLA2G1B | |
| SCHEMBL29690025 | 0.81 | CES2 (0.41) | CES2CES1KMT2AKDM4EALDH1A1 | |
| SCHEMBL16652778 | 0.81 | CES2 (0.41) | CES2CES1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8925608 | 0.81 | ALDH1A1 (0.44) | CES2CES1KDM4EALDH1A1HPGD | |
| SCHEMBL1003016 | 0.77 | CES2 (0.67) | DGAT1CES2CES1MAP2K2MAP2K1 | |
| SCHEMBL2584583 | 0.77 | PARP1 (0.44) | DGAT1CES2CES1MAP2K2MAP2K1 | |
| SCHEMBL14797596 | 0.77 | GSK3B (0.43) | CES2CES1 | |
| SCHEMBL28872705 | 0.77 | HSP90AB1 (0.40) | CES2CES1ALDH1A1HPGD | |
| SCHEMBL12293463 | 0.77 | — | — |
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-115872889-A | Method for preparing o-trifluoromethylaniline compound | 沈阳中化农药化工研发有限公司 | 2023-03-31 | — | — | CN | disclosed |