Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VHL | P40337 | 11/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ELOC | Q15369 | 2/20 | 0.33 |
| ▸ | ELOB | Q15370 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19661678 | 0.83 | VHL (0.53) | VHLKDM4EPKMELOCELOB | |
| SCHEMBL18579787 | 0.83 | VHL (0.57) | VHLKDM4EELOCELOBMEN1 | |
| SCHEMBL19600685 | 0.80 | VHL (0.54) | VHLKDM4EPKMELOCELOB | |
| SCHEMBL22130274 | 0.80 | VHL (0.50) | VHLKDM4EPKMELOCELOB | |
| SCHEMBL25006423 | 0.79 | VHL (0.47) | VHLPDE10AKDM4EPKMELOC | |
| SCHEMBL679793 | 0.79 | KDM4E (0.53) | VHLKDM4EPKMMEN1ALDH1A1 | |
| SCHEMBL16276343 | 0.77 | VHL (0.59) | VHLKDM4EELOCELOBMEN1 | |
| SCHEMBL16300950 | 0.77 | ALOX5 (0.49) | VHLKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL17947426 | 0.77 | VHL (0.48) | VHLKDM4EALDH1A1P2RX3P2RX2 | |
| SCHEMBL23478765 | 0.77 | VHL (0.48) | VHLKDM4EELOCELOBALDH1A1 |
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-109678852-B | 6-oxo-hexahydropyrimidine derivative, preparation method and pharmaceutical application thereof | 南京中医药大学 | 2022-04-19 | — | — | CN | claimed |
| CN-109678852-B | 6-oxo-hexahydropyrimidine derivative, preparation method and pharmaceutical application thereof | 南京中医药大学 | 2022-04-19 | — | — | CN | disclosed |