Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.45 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.45 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28018431 | 0.89 | MAOA (0.48) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL28017854 | 0.88 | MAOA (0.55) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL28017859 | 0.88 | KDM4E (0.52) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL16846563 | 0.85 | MAOA (0.49) | MAOACA1CA2CA9CA14 | |
| SCHEMBL28017869 | 0.84 | MAOA (0.48) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL28018429 | 0.83 | MAOA (0.54) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL16846562 | 0.82 | MAOA (0.53) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL28018430 | 0.81 | KDM4E (0.52) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL16846561 | 0.78 | HTR2A (0.50) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL28018462 | 0.77 | KDM4E (0.44) | MAOAKCNN2KCNN3KCNN1LMNA |
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-104672136-B | 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof | 沈阳药科大学 | 2017-01-25 | — | — | CN | claimed |