Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20326265 | 0.83 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL18812424 | 0.80 | PIK3CD (0.36) | EGFRERBB2 | |
| SCHEMBL2836682 | 0.80 | TSHR (0.38) | ALDH1A1TSHRMAPTEGFRERBB2 | |
| SCHEMBL20327301 | 0.80 | MAPT (0.33) | MAPTEGFRERBB2 | |
| SCHEMBL2836684 | 0.80 | TSHR (0.38) | ALDH1A1TSHRMAPTEGFRERBB2 | |
| SCHEMBL16653813 | 0.78 | MAPT (0.32) | MAPTEGFRERBB2 | |
| SCHEMBL9069836 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL20326267 | 0.76 | CHRNB2 (0.33) | MAPTEGFRERBB2 | |
| SCHEMBL21794811 | 0.76 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL30623012 | 0.76 | HCAR2 (0.43) | MAPTEGFRERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3558955-B1 | BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER | AMGEN INC (US) | 2021-08-11 | — | — | EP | disclosed |