Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.47 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16122416 | 0.90 | KRAS (0.61) | KRASSHMT2GAALRRK2ADAM17 | |
| SCHEMBL30642265 | 0.89 | KRAS (0.44) | KRASSHMT2GAA | |
| SCHEMBL16122418 | 0.89 | KRAS (0.44) | KRASSHMT2GAA | |
| SCHEMBL16121832 | 0.86 | KRAS (0.63) | KRASSHMT2GAALRRK2ADAM17 | |
| SCHEMBL17835133 | 0.85 | KRAS (0.45) | KRASSHMT2GAAMGLL | |
| SCHEMBL16093922 | 0.85 | KRAS (0.50) | KRASSHMT2GAALRRK2MGLL | |
| SCHEMBL16093954 | 0.83 | KRAS (0.52) | KRASSHMT2GAALRRK2ALDH1A1 | |
| SCHEMBL16100000 | 0.83 | KRAS (0.52) | KRASSHMT2GAALRRK2MGLL | |
| SCHEMBL16099649 | 0.83 | MAPT (0.50) | SHMT2LRRK2MGLLALDH1A1KDM4E | |
| SCHEMBL16099662 | 0.81 | KRAS (0.65) | KRASSHMT2GAALRRK2MGLL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970121-A1 | COVALENT INHIBITORS OF KRAS G12C | Araxes Pharma LLC (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014152588-A1 | COVALENT INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2014-09-25 | — | — | WO | disclosed |