Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CDK9 | P50750 | 3/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | CDK7 | P50613 | 2/20 | 0.32 |
| ▸ | CCNH | P51946 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30206005 | 1.00 | ALDH1A1 (0.41) | ALDH1A1LRRK2KDM4EKMT2AMEN1 | |
| SCHEMBL24944975 | 0.92 | LRRK2 (0.36) | ALDH1A1LRRK2CDK2CCNT1CCNA2 | |
| SCHEMBL29173387 | 0.91 | LRRK2 (0.40) | ALDH1A1LRRK2CDK2CCNT1CCNA2 | |
| SCHEMBL30206049 | 0.91 | LRRK2 (0.40) | ALDH1A1LRRK2CDK2CCNT1CCNA2 | |
| SCHEMBL30205999 | 0.91 | LRRK2 (0.33) | ALDH1A1LRRK2KMT2AMEN1TRPV1 | |
| SCHEMBL31577321 | 0.91 | LRRK2 (0.33) | ALDH1A1LRRK2KMT2AMEN1TRPV1 | |
| SCHEMBL29173512 | 0.85 | PKMYT1 (0.40) | LRRK2KMT2AMEN1CDK2CCNA2 | |
| SCHEMBL30206202 | 0.85 | PKMYT1 (0.40) | LRRK2KMT2AMEN1CDK2CCNA2 | |
| SCHEMBL24944973 | 0.85 | CCNT1 (0.33) | ALDH1A1LRRK2KDM4ECDK2CCNT1 | |
| SCHEMBL30206194 | 0.85 | MEN1 (0.34) | LRRK2KMT2AMEN1RXFP1 |
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-117693503-A | Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2024-03-12 | — | — | CN | disclosed |