Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | AGER | Q15109 | 1/20 | 0.43 |
| ▸ | HASPIN | Q8TF76 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PER2 | O15055 | 1/20 | 0.41 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.41 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20340614 | 0.84 | DYRK1A (0.53) | DYRK1AMCL1HASPINHTR2AHTR2C | |
| SCHEMBL17517548 | 0.84 | CYP1A2 (0.52) | DYRK1AMCL1HASPINCYP1A2CYP2C19 | |
| SCHEMBL27992160 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMCL1MAPT | |
| SCHEMBL17122519 | 0.83 | DYRK1A (0.62) | DYRK1AALDH1A1HPGDKDM4EMCL1 | |
| SCHEMBL17517490 | 0.82 | HASPIN (0.55) | DYRK1AHASPIN | |
| SCHEMBL17502378 | 0.82 | HASPIN (0.59) | DYRK1AHASPIN | |
| SCHEMBL27908740 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EMCL1MAPT | |
| SCHEMBL27992448 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMCL1MAPT | |
| SCHEMBL27939720 | 0.81 | DYRK1A (0.50) | DYRK1AHASPINACHEMAOAHTR2A | |
| SCHEMBL17102935 | 0.81 | DYRK1A (0.64) | DYRK1AMCL1MAPTHASPINMAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102146080-B | Beta-carboline alkali derivative compounds and application thereof | XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD | 2013-01-30 | — | — | CN | claimed |
| CN-104177376-A | 1-Position diamine beta-carboline alkali compound, and preparation method, medicinal composition and use thereof | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD | 2014-12-03 | — | — | CN | disclosed |