Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXK | P42681 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | ITK | Q08881 | 1/20 | 0.48 |
| ▸ | KRAS | P01116 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16102029 | 1.00 | TXK (0.48) | TXKBTKITKKRASCRBN | |
| SCHEMBL16100491 | 0.87 | MAPT (0.42) | TXKBTKITKALOX15TSHR | |
| SCHEMBL16100490 | 0.87 | MAPT (0.42) | TXKBTKITKALOX15TSHR | |
| SCHEMBL16099940 | 0.85 | ALDH1A1 (0.47) | TXKBTKITKKRASALDH1A1 | |
| SCHEMBL17800784 | 0.82 | BTK (0.40) | TXKBTKITKITGALMAPT | |
| SCHEMBL17800783 | 0.82 | BTK (0.40) | TXKBTKITKITGALMAPT | |
| SCHEMBL31672378 | 0.82 | BTK (0.40) | TXKBTKITKITGALMAPT | |
| SCHEMBL26764213 | 0.81 | ALDH1A1 (0.62) | BTKALDH1A1HPGDNPC1ALOX15 | |
| SCHEMBL16099343 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDNPC1ALOX15TSHR | |
| SCHEMBL17643349 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDNPC1ALOX15TSHR |
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 |