Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9908622 | 0.79 | PTGS2 (0.39) | CCR1PIK3CGPIK3CDPIK3CAPIK3CB | |
| SCHEMBL20980654 | 0.78 | GPR55 (0.34) | GPR55CCR1PIK3CGPIK3CDPIK3CA | |
| SCHEMBL14557688 | 0.78 | GABRA1 (0.39) | ALDH1A1KDM4EPOLBCXCR1CXCR2 | |
| SCHEMBL3129453 | 0.78 | PRMT5 (0.43) | CCR1PIK3CGPIK3CDPIK3CAPIK3CB | |
| SCHEMBL30407046 | 0.78 | CCR1 (0.36) | GPR55CCR1PIK3CGPIK3CDPIK3CA | |
| SCHEMBL29541780 | 0.78 | PIK3CG (0.36) | GPR55CCR1PIK3CGPIK3CDPIK3CA | |
| SCHEMBL25230493 | 0.78 | CCR1 (0.36) | GPR55CCR1PIK3CGPIK3CDPIK3CA | |
| SCHEMBL17161760 | 0.78 | PTGS2 (0.39) | CCR1PIK3CGPIK3CDPIK3CAPIK3CB | |
| SCHEMBL17169788 | 0.78 | PIK3CG (0.36) | GPR55CCR1PIK3CGPIK3CDPIK3CA | |
| SCHEMBL28270835 | 0.78 | HSD17B10 (0.44) | KDM4EPIK3C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022033303-A1 | BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2022-02-17 | — | — | WO | disclosed |