Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30080484 | 0.91 | CXCR4 (0.40) | CXCR4KDM4EALDH1A1 | |
| SCHEMBL22304474 | 0.82 | KDM4E (0.33) | KDM4EALDH1A1MAOBHTR6 | |
| SCHEMBL30080570 | 0.82 | KDM4E (0.33) | KDM4EALDH1A1MAOBHTR6 | |
| SCHEMBL24915272 | 0.80 | CXCR4 (0.69) | CXCR4KDM4EALDH1A1 | |
| SCHEMBL30080477 | 0.78 | CXCR4 (0.49) | CXCR4PDCD1CD274MAOBHTR6 | |
| SCHEMBL15259719 | 0.75 | HRH4 (0.47) | CXCR4KDM4EALDH1A1KCNH2 | |
| SCHEMBL22304527 | 0.75 | CYP11B1 (0.38) | KDM4EALDH1A1MAOBHTR6 | |
| SCHEMBL30080476 | 0.75 | CYP11B1 (0.38) | KDM4EALDH1A1MAOBHTR6 | |
| SCHEMBL26140267 | 0.75 | CXCR4 (0.45) | CXCR4KDM4EALDH1A1 | |
| SCHEMBL24914888 | 0.72 | KDM4E (0.33) | KDM4EALDH1A1 |
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-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |