Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL16093858 | 0.88 | KRAS (0.55) | KRASGAAALKMELKKMT2A | |
| SCHEMBL30642270 | 0.87 | KRAS (0.50) | KRASGAAALKKMT2AMEN1 | |
| SCHEMBL16122826 | 0.87 | KRAS (0.50) | KRASGAAALKKMT2AMEN1 | |
| SCHEMBL15337910 | 0.85 | KRAS (0.72) | KRASGAAALK | |
| SCHEMBL16093602 | 0.81 | KRAS (0.46) | KRASGAAALK | |
| SCHEMBL16093922 | 0.81 | KRAS (0.50) | KRASGAAALKMELKKMT2A | |
| SCHEMBL16117732 | 0.81 | KRAS (0.55) | KRASGAAALKMAPTCYP3A4 | |
| SCHEMBL16112967 | 0.80 | KRAS (0.49) | KRASGAAKMT2AMEN1KDM4E | |
| SCHEMBL16112968 | 0.80 | KRAS (0.49) | KRASGAAKMT2AMEN1KDM4E | |
| SCHEMBL16144079 | 0.79 | KRAS (0.48) | KRASGAAALKKMT2AMEN1 |
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 |