Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | TGM1 | P22735 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.33 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30864079 | 1.00 | PARP1 (0.45) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL25782277 | 1.00 | PARP1 (0.45) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL27075129 | 0.93 | GPR119 (0.42) | PARP1GPR119HDAC1GRM2KCNK3 | |
| SCHEMBL25991254 | 0.88 | PARP1 (0.34) | PARP1GPR119HDAC1SCN9A | |
| SCHEMBL25538247 | 0.85 | PARP1 (0.45) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL24663598 | 0.85 | SCN9A (0.38) | GPR119RETPIK3CDSCN9A | |
| SCHEMBL27003346 | 0.84 | PARP1 (0.43) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL30760013 | 0.84 | PARP1 (0.43) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL30966207 | 0.84 | PARP1 (0.39) | PARP1GPR119HDAC1HSD11B1MAPK8 | |
| SCHEMBL30664866 | 0.84 | GPR119 (0.42) | GPR119SCN9A |
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-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |