Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.50 |
| ▸ | HTR2C | P28335 | 6/20 | 0.50 |
| ▸ | HTR2B | P41595 | 6/20 | 0.50 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | HTR7 | P34969 | 3/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.48 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.47 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.47 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL28017854 | 0.89 | MAOA (0.55) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL16846582 | 0.85 | MEN1 (0.52) | KDM4EALDH1A1MAPK1HSD17B10 | |
| SCHEMBL16846563 | 0.84 | MAOA (0.49) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL16846562 | 0.83 | MAOA (0.53) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28018429 | 0.81 | MAOA (0.54) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28018431 | 0.81 | MAOA (0.48) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28102480 | 0.78 | MAOA (0.48) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28018430 | 0.78 | KDM4E (0.52) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28017859 | 0.78 | KDM4E (0.52) | KCNN2KCNN3KCNN1MAOAKDM4E | |
| SCHEMBL28017869 | 0.76 | MAOA (0.48) | KCNN2KCNN3KCNN1MAOAKDM4E |
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-2015090216-A1 | 6, 7-DIMETHOXY-1, 2, 3, 4-TETRAHYDROISOQUINOLINE DERIVATIVE AND MANUFACTURING METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISED THEREOF, AND APPLICATION THEREOF | 沈阳药科大学 | 2015-06-25 | — | — | WO | disclosed |