Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | MAP4K1 | Q92918 | 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 | |
|---|---|---|---|---|
| SCHEMBL151032 | 1.00 | CHEK1 (0.51) | CHEK1ACHECTSKMAPTHTR3A | |
| SCHEMBL147793 | 0.94 | NCF1 (0.48) | CHEK1ACHECTSKMAPTHTR3A | |
| SCHEMBL27909230 | 0.84 | CHRNB2 (0.44) | CHEK1ACHEMAPTKMT2AMEN1 | |
| SCHEMBL151047 | 0.84 | MAPT (0.46) | MAPTKMT2AMEN1ALDH1A1AOC3 | |
| SCHEMBL151160 | 0.83 | MAPT (0.49) | MAPTGAAKMT2AMEN1KDM4E | |
| SCHEMBL148390 | 0.83 | MAPT (0.49) | MAPTGAAKMT2AMEN1KDM4E | |
| SCHEMBL6889586 | 0.83 | KDM4E (0.49) | CHEK1MAPTGAAKMT2AMEN1 | |
| SCHEMBL18641228 | 0.83 | AR (0.43) | CHEK1ACHECTSKMAPTKDM4E | |
| SCHEMBL30270074 | 0.82 | CHRNB2 (0.41) | CHEK1ACHEMAPTKDM4EALDH1A1 | |
| SCHEMBL22495364 | 0.82 | MAPT (0.47) | CHEK1ACHEMAPTGAAKMT2A |
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-114380822-B | CDKs inhibitor of beta-carboline mother nucleus, preparation method and anti-tumor application thereof | 中国人民解放军北部战区总医院 | 2023-02-17 | — | — | CN | disclosed |
| CN-114380822-A | CDKs inhibitor of beta-carboline mother nucleus, preparation method and anti-tumor application thereof | 中国人民解放军北部战区总医院 | 2022-04-22 | — | — | CN | disclosed |