Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL30337300 | 0.88 | HTR1A (0.45) | HTR1AKDM4EALDH1A1POLBHPGD | |
| SCHEMBL30337305 | 0.85 | HTR1A (0.43) | HTR1AKDM4EALDH1A1POLBHPGD | |
| SCHEMBL30337191 | 0.84 | HTR1A (0.47) | HTR1ATSHRDRD2 | |
| SCHEMBL30337235 | 0.84 | HTR1A (0.43) | HTR1AKDM4EALDH1A1POLBHPGD | |
| SCHEMBL30337169 | 0.83 | HTR1A (0.48) | HTR1ATSHRACHE | |
| SCHEMBL24938889 | 0.82 | HTR1A (0.42) | HTR1ATSHRACHE | |
| SCHEMBL24939928 | 0.80 | HTR1A (0.43) | HTR1AALDH1A1TSHR | |
| SCHEMBL23335009 | 0.76 | HTR1A (0.40) | HTR1AALDH1A1TSHRACHE | |
| SCHEMBL24145710 | 0.74 | HTR1A (0.40) | HTR1AACHE | |
| SCHEMBL28980935 | 0.74 | KDM4E (0.47) | HTR1AKDM4EALDH1A1POLBHPGD |
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-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |