Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29136172 | 0.87 | CCR2 (0.38) | CCR2KDM4EALDH1A1SOS1 | |
| SCHEMBL29136191 | 0.84 | MAPT (0.40) | CCR2ALDH1A1 | |
| SCHEMBL29136185 | 0.78 | CCR2 (0.52) | CCR2KDM4EALDH1A1KCNA3 | |
| SCHEMBL29136176 | 0.78 | IDO1 (0.47) | CCR2KDM4EALDH1A1PPARGPPARA | |
| SCHEMBL29136212 | 0.74 | DBH (0.42) | CCR2KDM4EALDH1A1KCNA3 | |
| SCHEMBL29136200 | 0.72 | MAPT (0.46) | CCR2KDM4EALDH1A1 | |
| SCHEMBL29136199 | 0.72 | CCR2 (0.55) | CCR2KDM4EALDH1A1CHRM5 | |
| SCHEMBL14764868 | 0.69 | KCNQ3 (0.47) | P2RX3DRD2KCNA3 | |
| SCHEMBL4201841 | 0.69 | CCR2 (0.77) | CCR2CCR9 | |
| SCHEMBL1092086 | 0.67 | HTR2A (0.37) | KDM4E |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |