Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 12/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28597894 | 0.87 | MAOB (0.47) | MAOBAPPCYP4F2CYP4A11MAOA | |
| SCHEMBL2142663 | 0.87 | PDGFRB (0.47) | MAOBMAOA | |
| SCHEMBL30792372 | 0.86 | MAOB (0.48) | MAOBCYP4F2CYP4A11MAOA | |
| SCHEMBL20361166 | 0.86 | HTR2C (0.41) | MAOBMAOA | |
| SCHEMBL30792390 | 0.83 | MAOB (0.54) | MAOBMAOANR4A2PARP10 | |
| SCHEMBL30792263 | 0.80 | MAOB (0.53) | MAOBAPPCYP4F2CYP4A11MAOA | |
| SCHEMBL4422904 | 0.75 | MAOB (0.60) | MAOBAPPMAOANR4A2CA12 | |
| SCHEMBL20804354 | 0.74 | MAOB (0.67) | MAOBAPPMAOANR4A2CA12 | |
| SCHEMBL9930792 | 0.74 | CYP11B1 (0.39) | — | |
| SCHEMBL28649560 | 0.73 | CYP4F2 (0.44) | MAOBCYP4F2CYP4A11NR4A2 |
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-117658885-A | Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-08 | — | — | CN | disclosed |