Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | CCR4 | P51679 | 3/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL18328238 | 0.98 | NFE2L2 (0.36) | NFE2L2CCR4GPBAR1MAPK1L3MBTL1 | |
| SCHEMBL18328236 | 0.78 | HPGD (0.46) | MAPK1L3MBTL1CD274KMT2AALDH1A1 | |
| SCHEMBL188900 | 0.78 | HPGD (0.36) | NFE2L2CCR4GPBAR1MAPK1L3MBTL1 | |
| SCHEMBL911419 | 0.77 | CCR4 (0.43) | NFE2L2CCR4MAPK1L3MBTL1MAPT | |
| SCHEMBL26026672 | 0.75 | TRPA1 (0.35) | NFE2L2MAPTKMT2AAPLNRCCR1 | |
| SCHEMBL5942324 | 0.75 | DRD1 (0.39) | NFE2L2CCR4GPBAR1MAPK1L3MBTL1 | |
| SCHEMBL27849554 | 0.75 | MAPK1 (0.45) | CCR4MAPK1L3MBTL1MAPTKMT2A | |
| SCHEMBL21063375 | 0.73 | CCR4 (0.35) | NFE2L2CCR4GPBAR1MAPK1L3MBTL1 | |
| SCHEMBL21598410 | 0.73 | CCR4 (0.37) | NFE2L2CCR4GPBAR1MAPK1L3MBTL1 | |
| SCHEMBL21598414 | 0.73 | AURKA (0.43) | CCR4MAPK1L3MBTL1PDCD1CD274 |
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-113272303-A | Pyrimido five-membered nitrogen heterocyclic derivative, preparation method and application thereof in medicine | 上海拓界生物医药科技有限公司 | 2021-08-17 | — | — | CN | disclosed |