Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA4 | P22748 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27617063 | 0.84 | AGTR2 (0.36) | AGTR2P2RX7CHRM1ACECCR2 | |
| SCHEMBL15451884 | 0.82 | CYP1A2 (0.45) | AGTR2P2RX7CHRM1ATM | |
| SCHEMBL25540250 | 0.79 | GRM2 (0.36) | AGTR2P2RX7CHRM1KCNH2GRM2 | |
| SCHEMBL12490756 | 0.77 | P2RX7 (0.33) | P2RX7CHRM1CCR2KCNH2CA1 | |
| SCHEMBL2225191 | 0.77 | P2RX7 (0.33) | P2RX7CHRM1CCR2KCNH2CA1 | |
| SCHEMBL26553956 | 0.77 | LMNA (0.36) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL4492046 | 0.76 | CHRM1 (0.44) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL10125636 | 0.75 | CCR2 (0.38) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL799809 | 0.75 | CCR2 (0.38) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL25728480 | 0.75 | CCR2 (0.38) | MMP1MMP3MMP7MMP9MMP13 |
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-2022052926-A1 | AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | 广州再极医药科技有限公司 | 2022-03-17 | — | — | WO | disclosed |