Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.62 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.51 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.51 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.51 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21137062 | 0.93 | KRAS (0.65) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136942 | 0.91 | KRAS (0.60) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136719 | 0.87 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136743 | 0.85 | KRAS (0.65) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL16647007 | 0.83 | KRAS (0.62) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL16647069 | 0.79 | KRAS (0.72) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29765743 | 0.79 | KRAS (0.72) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21137054 | 0.78 | KRAS (0.49) | KRAS | |
| SCHEMBL16646979 | 0.77 | KRAS (0.62) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29765967 | 0.77 | KRAS (0.62) | KRASEGFRHMOX2CRYZVAT1 |
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 |