Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 8/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CDK7 | P50613 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CCNH | P51946 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| SCHEMBL21136739 | 0.85 | KRAS (0.49) | KRASNTRK1HSP90AA1HSP90AB1PIM1 | |
| SCHEMBL21136914 | 0.76 | KDM4E (0.40) | KRASNTRK1KDM4EPIM1PIM2 | |
| SCHEMBL21050731 | 0.74 | KRAS (0.55) | KRASNTRK1 | |
| SCHEMBL21137054 | 0.72 | KRAS (0.49) | KRASHSP90AA1HSP90AB1WEE1 | |
| SCHEMBL21136743 | 0.70 | KRAS (0.65) | KRAS | |
| SCHEMBL21136719 | 0.69 | KRAS (0.49) | KRASWEE1 | |
| SCHEMBL21137067 | 0.69 | KRAS (0.51) | KRAS | |
| SCHEMBL21136814 | 0.68 | KRAS (0.37) | KRASNTRK1PIM1PIM2PIM3 | |
| SCHEMBL21050645 | 0.68 | KRAS (0.55) | KRASNTRK1 | |
| SCHEMBL21050829 | 0.67 | KRAS (0.51) | KRAS |
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 |