Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.59 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.59 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25464794 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTGAAESR2ESR1 | |
| SCHEMBL9832991 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL24206879 | 0.78 | MAP2K7 (0.46) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL8681378 | 0.78 | CHKA (0.46) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL4885809 | 0.78 | MAPT (0.68) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL11441903 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL14105917 | 0.77 | MAPT (0.45) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL6156455 | 0.76 | ALDH1A1 (0.96) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL8134583 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL3658442 | 0.76 | ALDH1A1 (0.59) | ALDH1A1MAPTMEN1KMT2AGAA |
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-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 |
| 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 |