Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28502343 | 0.88 | CCR2 (0.38) | MAPTCCR2ALDH1A1HTT | |
| SCHEMBL21301981 | 0.88 | MAPK1 (0.47) | PLA2G1BL3MBTL1ATG4BHTR6CACNA1G | |
| SCHEMBL31066767 | 0.88 | MAPK1 (0.47) | PLA2G1BL3MBTL1ATG4BHTR6CACNA1G | |
| SCHEMBL30516335 | 0.86 | HTR6 (0.48) | PLA2G1BL3MBTL1ATG4BHTR6MAPT | |
| SCHEMBL21291591 | 0.86 | HTR6 (0.48) | PLA2G1BL3MBTL1ATG4BHTR6MAPT | |
| Hydrochloric Acid SCHEMBL30516381 | 0.85 | HTR6 (0.47) | PLA2G1BL3MBTL1ATG4BHTR6MAPT | |
| SCHEMBL21291624 | 0.84 | HTR6 (0.62) | PLA2G1BL3MBTL1ATG4BHTR6DRD2 | |
| SCHEMBL30516345 | 0.84 | HTR6 (0.62) | PLA2G1BL3MBTL1ATG4BHTR6DRD2 | |
| SCHEMBL28490456 | 0.83 | ALDH1A1 (0.36) | HTR6CCR2ALDH1A1 | |
| SCHEMBL21302004 | 0.82 | CHRM2 (0.44) | — |
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-112041300-B | Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists | 阿达梅德制药公司 | 2023-07-28 | — | — | CN | disclosed |