Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.49 |
| ▸ | APEX1 | P27695 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL23879261 | 1.00 | MRGPRX4 (0.49) | MRGPRX4APEX1ALDH1A1MAPK1KDM4E | |
| SCHEMBL4324495 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL9427493 | 0.85 | MAPT (0.43) | ALDH1A1MAPK1KDM4EHPGDHSD17B10 | |
| SCHEMBL4450651 | 0.82 | TSHR (0.50) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL19058739 | 0.82 | MRGPRX4 (0.55) | MRGPRX4APEX1ALDH1A1MAPK1KDM4E | |
| SCHEMBL1648373 | 0.82 | MRGPRX4 (0.55) | MRGPRX4APEX1ALDH1A1MAPK1KDM4E | |
| SCHEMBL23879270 | 0.81 | HPGD (0.44) | APEX1ALDH1A1MAPK1KDM4EHPGD | |
| SCHEMBL30452293 | 0.81 | HPGD (0.44) | APEX1ALDH1A1MAPK1KDM4EHPGD | |
| SCHEMBL9080677 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPK1KDM4EHPGDTDP1 | |
| SCHEMBL17908028 | 0.80 | MRGPRX4 (0.53) | MRGPRX4APEX1ALDH1A1MAPK1KDM4E |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |