Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 6/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16122861 | 0.90 | KRAS (0.81) | KRASGAASHMT2LRRK2 | |
| SCHEMBL16122863 | 0.89 | KRAS (0.61) | KRASGAASHMT2 | |
| SCHEMBL30642318 | 0.89 | KRAS (0.61) | KRASGAASHMT2 | |
| SCHEMBL16093922 | 0.85 | KRAS (0.50) | KRASGAASHMT2KDM4EALDH1A1 | |
| SCHEMBL16100000 | 0.83 | KRAS (0.52) | KRASGAASHMT2KDM4EALDH1A1 | |
| SCHEMBL16093954 | 0.83 | KRAS (0.52) | KRASGAASHMT2KDM4EALDH1A1 | |
| SCHEMBL16093889 | 0.81 | KRAS (0.47) | KRASGAASHMT2KDM4EALDH1A1 | |
| SCHEMBL29373049 | 0.79 | KRAS (1.00) | KRAS | |
| SCHEMBL16117872 | 0.79 | KRAS (1.00) | KRAS | |
| SCHEMBL21458760 | 0.79 | KRAS (0.74) | KRASKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3193851-B1 | COMBINATION THERAPIES FOR TREATMENT OF CANCER | ARAXES PHARMA LLC (US) | 2020-10-21 | — | — | EP | disclosed |
| 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 |