Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30688863 | 0.82 | NTRK1 (0.45) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL2471248 | 0.81 | KDM1A (0.59) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL28613921 | 0.75 | ALDH1A1 (0.44) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL30802465 | 0.71 | BCHE (0.63) | HTR2AHTR2CKDM1AKDM4EBCHE | |
| SCHEMBL16767313 | 0.69 | BACE1 (0.38) | HTR2AHTR2CHTR2BKDM4EMEN1 | |
| SCHEMBL30933758 | 0.69 | NPBWR1 (0.48) | HTR2AKDM1AMAOAMAOBKDM4E | |
| SCHEMBL30933761 | 0.69 | NPBWR1 (0.48) | HTR2AKDM1AMAOAMAOBKDM4E | |
| SCHEMBL23105979 | 0.68 | BCHE (0.47) | HTR2AHTR2CHTR2BKDM4EMEN1 | |
| SCHEMBL696317 | 0.68 | BCHE (0.50) | BCHEACHEBACE1CYP2D6 | |
| SCHEMBL28785597 | 0.68 | OPRL1 (0.50) | HTR2AHTR2CKDM4EMEN1GAA |
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-113278022-B | Pyrazolopyrimidine compound, pharmaceutical composition and application thereof | 南京纳丁菲医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |