Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KRAS | P01116 | 7/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.31 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.31 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.31 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21137372 | 0.87 | KRAS (0.46) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21137536 | 0.84 | KRAS (0.38) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136719 | 0.75 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21050835 | 0.71 | KRAS (0.49) | KRASNTRK1PIM1MAP4K1 | |
| SCHEMBL21137567 | 0.68 | HRH4 (0.38) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136805 | 0.67 | HRH4 (0.40) | KRASHTR6 | |
| SCHEMBL21137054 | 0.64 | KRAS (0.49) | KRAS | |
| SCHEMBL21136914 | 0.64 | KDM4E (0.40) | KDM4EKRASEGFRHMOX2CRYZ | |
| SCHEMBL21050876 | 0.63 | KRAS (0.59) | KRAS | |
| SCHEMBL21137563 | 0.62 | CKS1B (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |