Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21565891 | 0.79 | TSHR (0.34) | TSHRALDH1A1MAPK1TDP1MEN1 | |
| SCHEMBL24448720 | 0.79 | ZDHHC20 (0.32) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL24448719 | 0.79 | ZDHHC20 (0.32) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL20314866 | 0.75 | TSHR (0.39) | TSHR | |
| SCHEMBL19019111 | 0.74 | — | — | |
| SCHEMBL1681438 | 0.74 | CHRM2 (0.54) | TSHRALDH1A1TDP1ZDHHC20ZDHHC2 | |
| SCHEMBL16285108 | 0.70 | ALDH1A1 (0.33) | TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL8446682 | 0.69 | TSHR (0.40) | TSHRALDH1A1MAPK1TDP1MEN1 | |
| SCHEMBL10035790 | 0.69 | TSHR (0.32) | TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL16245051 | 0.68 | TSHR (0.34) | TSHRALDH1A1MAPK1TDP1 |
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 |