Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.33 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29671322 | 0.95 | HTT (0.37) | HTTLMNANR1I2PGRCYP3A4 | |
| SCHEMBL22848034 | 0.95 | HTT (0.37) | HTTLMNANR1I2PGRCYP3A4 | |
| SCHEMBL28680459 | 0.88 | KDM4E (0.41) | KDM4EHTTMAP3K7TAB1MAPK1 | |
| SCHEMBL22848333 | 0.73 | LMNA (0.43) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL29671313 | 0.73 | LMNA (0.43) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL5457635 | 0.72 | CA1 (0.51) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL5457639 | 0.72 | CA1 (0.51) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL16486856 | 0.69 | KDM4E (0.43) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL16486858 | 0.69 | KDM4E (0.43) | KDM4EHTTLMNANR1I2PGR | |
| SCHEMBL23693838 | 0.69 | HRH4 (0.36) | — |
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-114008037-B | Heterocyclic compounds as KRAS G12C inhibitors | 广东新契生物医药科技有限公司 | 2024-06-21 | — | — | CN | disclosed |