Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16564103 | 0.83 | KDM4E (0.54) | MAOBKDM4ELMNAALDH1A1HPGD | |
| SCHEMBL16564053 | 0.79 | KDM4E (0.40) | MAOAMAOBKDM4ELMNAMAPT | |
| SCHEMBL2742473 | 0.78 | KDM4E (0.47) | KDM4ELMNAMAPTALDH1A1HPGD | |
| SCHEMBL16563757 | 0.77 | NPC1 (0.35) | MAOAKDM4ELMNAMAPTALDH1A1 | |
| SCHEMBL16564368 | 0.76 | KDM4E (0.39) | MAOAMAOBKDM4ELMNAMAPT | |
| SCHEMBL16066091 | 0.76 | KDM4E (0.47) | MAOBKDM4ELMNAMAPTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11131052 | 0.76 | DRD1 (0.40) | MAOAMAOBCA1CA12CA7 | |
| SCHEMBL16564602 | 0.75 | KDM4E (0.39) | PTGS2KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL17090849 | 0.74 | CA12 (0.41) | MAOAMAOBCA1CA12CA7 | |
| SCHEMBL12904364 | 0.73 | KDM4E (0.43) | MAOBKDM4ELMNAMAPTALDH1A1 |
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-2012031573-A1 | A METHOD FOR PREPARING AN OPTICAL ISOMERIC STEPHOLIDINE AND DERIVATES THEREOF | 山东特珐曼医药原料有限公司 (CN) | 2012-03-15 | — | — | WO | disclosed |