Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.46 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.46 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16846562 | 0.97 | MAOA (0.53) | MAOADRD2DRD1KCNN2KCNN3 | |
| SCHEMBL28017854 | 0.92 | MAOA (0.55) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| Quinoline SCHEMBL28102459 | 0.88 | MAOA (0.43) | MAOADRD2DRD1KDM4EALDH1A1 | |
| SCHEMBL28017859 | 0.86 | KDM4E (0.52) | MAOADRD2DRD1KCNN2KCNN3 | |
| SCHEMBL28018430 | 0.86 | KDM4E (0.52) | MAOADRD2DRD1KCNN2KCNN3 | |
| SCHEMBL16846563 | 0.86 | MAOA (0.49) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL16846581 | 0.84 | MEN1 (0.58) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28018431 | 0.83 | MAOA (0.48) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL28102480 | 0.83 | MAOA (0.48) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL16846561 | 0.81 | HTR2A (0.50) | MAOAKCNN2KCNN3KCNN1KDM4E |
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 3 patents. 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 |
| CN-104672136-A | 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-06-03 | — | — | CN | claimed |
| CN-104672136-A | 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-06-03 | — | — | CN | disclosed |