Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | POLR1A | O95602 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 9/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23930955 | 0.88 | PARP1 (0.38) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL21880034 | 0.87 | ADORA2A (0.38) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL29902359 | 0.86 | NR1H2 (0.42) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL23930996 | 0.86 | ADORA2A (0.40) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL21879937 | 0.82 | HDAC4 (0.39) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL23930947 | 0.78 | NR1H2 (0.41) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL21879985 | 0.77 | USP30 (0.41) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL23930984 | 0.76 | USP30 (0.40) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL24126928 | 0.76 | POLR1A (0.42) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 | |
| SCHEMBL24126467 | 0.75 | ADORA2A (0.42) | ADORA2AADORA2BPOLR1AHDAC4HDAC6 |
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-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |