Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 2/20 | 0.62 |
| ▸ | CDK1 | P06493 | 2/20 | 0.62 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.62 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.62 |
| ▸ | CDK2 | P24941 | 2/20 | 0.62 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.62 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 14/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GABRP | O00591 | 1/20 | 0.52 |
| ▸ | GABRD | O14764 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28665099 | 0.87 | CCNB2 (0.67) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL2731668 | 0.85 | MAOA (0.56) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL2721485 | 0.83 | MAOA (0.67) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6122809 | 0.83 | CCNB2 (0.60) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6122431 | 0.82 | MAOA (0.54) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6123343 | 0.82 | MAOA (0.56) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL2721806 | 0.82 | MAOA (0.57) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6123410 | 0.81 | MAOA (0.52) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6122663 | 0.80 | MAOA (0.54) | CCNB2CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6123447 | 0.80 | MAOA (0.68) | CCNB2CDK1CCNB1CCNA2CDK2 |
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-111393438-B | Preparation method and application of 6-substituted-beta-carboline alkali compound and derivative | 石河子大学 | 2021-11-30 | — | — | CN | disclosed |