Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 3/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30170705 | 0.80 | KRAS (0.45) | MGLLMAT2AKRAS | |
| SCHEMBL23735736 | 0.77 | KRAS (0.37) | MAT2APRMT5KRAS | |
| SCHEMBL22093081 | 0.71 | MAT2A (0.54) | MAT2A | |
| SCHEMBL29571124 | 0.71 | MAT2A (0.54) | MAT2A | |
| SCHEMBL30499848 | 0.71 | PTGES (0.43) | MAT2AALDH1A1 | |
| SCHEMBL22093070 | 0.66 | MAT2A (0.54) | MAT2AALDH1A1LMNA | |
| SCHEMBL29284828 | 0.66 | ALDH1A1 (0.44) | MAPK14ALDH1A1HSD17B10LMNAMAPT | |
| SCHEMBL31145385 | 0.65 | MAT2A (0.41) | MAT2A | |
| SCHEMBL22093080 | 0.63 | ADORA3 (0.42) | MGLLMAT2AALDH1A1HTTLMNA | |
| SCHEMBL31145394 | 0.63 | ADORA3 (0.42) | MGLLMAT2AALDH1A1HTTLMNA |
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-4001269-A1 | BENZOISOTHIAZOLE, 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) | 2022-05-25 | — | — | EP | disclosed |