Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | GRK5 | P34947 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24436596 | 1.00 | ITGB2 (0.32) | ITGB2ICAM1ITGALKRASPARP1 | |
| SCHEMBL29614834 | 0.92 | PARP1 (0.36) | KRASPARP1PARP2KMT2AMEN1 | |
| SCHEMBL29614843 | 0.85 | KRAS (0.43) | KRAS | |
| SCHEMBL29700725 | 0.81 | KRAS (0.38) | KRASPARP2ALDH1A1 | |
| SCHEMBL21542783 | 0.81 | KRAS (0.38) | KRASPARP2ALDH1A1 | |
| SCHEMBL24436324 | 0.80 | — | — | |
| SCHEMBL24436437 | 0.78 | PARP1 (0.31) | PARP1 | |
| SCHEMBL22848359 | 0.77 | KRAS (0.43) | KRAS | |
| SCHEMBL29614782 | 0.77 | KRAS (0.43) | KRAS | |
| SCHEMBL22848283 | 0.77 | LMNA (0.35) | KRASKMT2AMEN1RXFP1ALDH1A1 |
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-3990448-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C | Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) | 2022-05-04 | — | — | EP | disclosed |