Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | KRAS | P01116 | 11/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.33 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.33 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.33 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.33 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21137372 | 0.81 | KRAS (0.46) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136902 | 0.75 | KRAS (0.41) | KRAS | |
| SCHEMBL21137341 | 0.75 | TP53 (0.35) | MAPT | |
| SCHEMBL21137333 | 0.73 | MAPK8 (0.38) | KRASMAPT | |
| SCHEMBL21136805 | 0.70 | HRH4 (0.40) | HRH4KRAS | |
| SCHEMBL21137536 | 0.70 | KRAS (0.38) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136855 | 0.68 | KDM4E (0.37) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21137331 | 0.68 | KRAS (0.62) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21137055 | 0.66 | KRAS (0.34) | KRASCCR4EGFRHMOX2CRYZ | |
| SCHEMBL21137563 | 0.63 | CKS1B (0.38) | MAPT |
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 |