Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 10/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 3/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636999 | 0.89 | KRAS (0.46) | KRAS | |
| SCHEMBL16636949 | 0.87 | KRAS (0.40) | KRASPDE10APDGFRBPDGFRAKIT | |
| SCHEMBL16637242 | 0.86 | KRAS (0.39) | KRASPRKDCPDGFRBPDGFRALIMK2 | |
| SCHEMBL16636951 | 0.86 | KRAS (0.39) | KRASPDE10APDGFRBPDGFRAKIT | |
| SCHEMBL16637201 | 0.83 | KRAS (0.40) | KRASPDE10APRKDCPDGFRBPDGFRA | |
| SCHEMBL16637078 | 0.81 | KIT (0.41) | KRASPDGFRBPDGFRAKIT | |
| SCHEMBL16637211 | 0.80 | PDE10A (0.41) | KRASPDE10APRKDCPDGFRBPDGFRA | |
| SCHEMBL29765957 | 0.78 | KRAS (0.48) | KRAS | |
| SCHEMBL16637120 | 0.78 | KRAS (0.48) | KRAS | |
| SCHEMBL16636952 | 0.74 | PDGFRB (0.35) | KRASPDGFRBPDGFRAKITFLT3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9840516-B2 | Substituted quinazolines as inhibitors of KRAS G12C | ARAXES PHARMA LLC (US) | 2017-12-12 | — | — | US | disclosed |