Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.37 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21137556 | 0.88 | GPR119 (0.41) | MAPK8GPR119KCNH2ALKCCNK | |
| SCHEMBL21136807 | 0.87 | HDAC1 (0.39) | GPR119MAPT | |
| SCHEMBL20570346 | 0.84 | NR1H2 (0.46) | GPR119KCNH2NR1H2NR1H3 | |
| SCHEMBL16636900 | 0.84 | MAPK8 (0.39) | MAPK8GPR119KCNH2MEN1MAPT | |
| SCHEMBL21137486 | 0.84 | NR1H2 (0.37) | MAPK8GPR119KCNH2ALKMEN1 | |
| SCHEMBL21136818 | 0.83 | KCNH2 (0.40) | MAPK8GPR119KCNH2CCNKCCNA2 | |
| SCHEMBL16636974 | 0.83 | MAPK8 (0.39) | MAPK8GPR119KCNH2MEN1MAPT | |
| SCHEMBL21136735 | 0.82 | KCNH2 (0.47) | MAPK8GPR119KCNH2CDK9MEN1 | |
| SCHEMBL16637247 | 0.82 | USP2 (0.49) | MEN1MAPTKMT2A | |
| SCHEMBL20571090 | 0.81 | NR1H2 (0.43) | GPR119KCNH2NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |