Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | KRAS | P01116 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.40 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.40 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.40 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21136814 | 0.83 | KRAS (0.37) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136770 | 0.83 | KRAS (0.41) | CXCR2KRASEGFRHMOX2CRYZ | |
| SCHEMBL21137320 | 0.80 | KRAS (0.43) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21100008 | 0.79 | KRAS (0.65) | CXCR2KRASEGFRHMOX2CRYZ | |
| SCHEMBL21137067 | 0.78 | KRAS (0.51) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL21136729 | 0.77 | GPR119 (0.41) | MAPK8GPR119ALKMAPTCDK9 | |
| SCHEMBL16637000 | 0.77 | KRAS (0.44) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL18395526 | 0.76 | MAPT (0.57) | MAPTMAPK1 | |
| SCHEMBL21136711 | 0.74 | MAPK8 (0.41) | MAPK8GPR119ALKMAPTCCNK | |
| SCHEMBL21136787 | 0.73 | KRAS (0.44) | KRASGPR119ALKMAPTSUV39H2 |
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 |