Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18308988 | 0.85 | GSK3B (0.47) | GSK3BDYRK1AATRAAK1CDK9 | |
| SCHEMBL25784199 | 0.82 | ATR (0.57) | RAB9ASMN1; SMN2GSK3BDYRK1AATR | |
| SCHEMBL17803539 | 0.82 | ATR (0.48) | NPC1TP53RAB9ASMN1; SMN2GSK3B | |
| SCHEMBL28641960 | 0.82 | GSK3B (0.45) | NPC1RAB9AGSK3BDYRK1AATR | |
| SCHEMBL25347433 | 0.81 | GSK3B (0.44) | NPC1RAB9AGSK3BDYRK1AATR | |
| SCHEMBL2116624 | 0.81 | GSK3B (0.44) | GSK3BDYRK1AATRAAK1ALDH1A1 | |
| SCHEMBL29954151 | 0.81 | GSK3B (0.44) | GSK3BDYRK1AATRAAK1CHEK1 | |
| SCHEMBL15354547 | 0.81 | GSK3B (0.44) | GSK3BDYRK1AATRAAK1ALDH1A1 | |
| SCHEMBL22448769 | 0.80 | GSK3B (0.43) | CYP3A4GSK3BDYRK1AATRAAK1 | |
| SCHEMBL30381133 | 0.80 | ATR (0.54) | SMN1; SMN2GSK3BDYRK1AATRAAK1 |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |
| WO-2018092047-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | JOINT STOCK COMPANY "BIOCAD" (RU) | 2018-05-24 | — | — | WO | disclosed |