Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 9/20 | 0.47 |
| ▸ | NMT2 | O60551 | 2/20 | 0.39 |
| ▸ | NMT1 | P30419 | 2/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.34 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | SPIN4 | Q56A73 | 1/20 | 0.33 |
| ▸ | SPIN3 | Q5JUX0 | 1/20 | 0.33 |
| ▸ | SPIN2B | Q9BPZ2 | 1/20 | 0.33 |
| ▸ | SPIN1 | Q9Y657 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637082 | 0.88 | KRAS (0.45) | KRASNMT2NMT1 | |
| SCHEMBL17030869 | 0.87 | SLC29A1 (0.40) | KRASNMT2NMT1CSNK2A1MRGPRX1 | |
| SCHEMBL16637080 | 0.86 | KRAS (0.39) | KRASNMT2NMT1CSNK2A1MRGPRX1 | |
| SCHEMBL19695805 | 0.85 | KRAS (0.39) | KRASNMT2NMT1CSNK2A1SPIN4 | |
| SCHEMBL22631267 | 0.83 | KRAS (0.53) | KRASNMT2NMT1CSNK2A1MRGPRX1 | |
| SCHEMBL18128474 | 0.82 | KRAS (0.40) | KRASP2RY12CRBN | |
| SCHEMBL16637205 | 0.80 | ABL1 (0.39) | KRAS | |
| SCHEMBL18128713 | 0.79 | KRAS (0.54) | KRAS | |
| SCHEMBL21458519 | 0.79 | KRAS (0.54) | KRAS | |
| SCHEMBL16637053 | 0.78 | KRAS (0.35) | 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 |
|---|---|---|---|---|---|---|---|
| US-9840516-B2 | Substituted quinazolines as inhibitors of KRAS G12C | ARAXES PHARMA LLC (US) | 2017-12-12 | — | — | US | disclosed |