Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23234388 | 1.00 | LCK (0.47) | LCKBTKIRAK4SIRT3TDP1 | |
| SCHEMBL23234414 | 0.90 | IRAK4 (0.45) | LCKBTKIRAK4SIRT3CCNA2 | |
| SCHEMBL30754179 | 0.90 | IRAK4 (0.45) | LCKBTKIRAK4SIRT3CCNA2 | |
| SCHEMBL30754181 | 0.89 | CYP17A1 (0.40) | LCKBTKIRAK4RIPK2TLR8 | |
| SCHEMBL23234411 | 0.89 | CYP17A1 (0.40) | LCKBTKIRAK4RIPK2TLR8 | |
| SCHEMBL23234386 | 0.84 | NPC1 (0.51) | KDM4ELMNANPC1RAB9ACYP1A2 | |
| SCHEMBL23234404 | 0.83 | IRAK4 (0.48) | IRAK4SIRT3CCNA2CDK2CCNA1 | |
| SCHEMBL30754177 | 0.79 | HTT (0.38) | IRAK4RIPK2TLR8KDM4ENPC1 | |
| SCHEMBL23234420 | 0.79 | HTT (0.38) | IRAK4RIPK2TLR8KDM4ENPC1 | |
| SCHEMBL23234395 | 0.78 | IRAK4 (0.43) | IRAK4CCNA2CDK2CCNA1CYP1A2 |
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-112236421-B | Pyrazole derivatives and pest control agents | 组合化学工业株式会社 | 2023-12-26 | — | — | CN | disclosed |