Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 5/20 | 0.32 |
| ▸ | PDE9A | O76083 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | TPH1 | P17752 | 1/20 | 0.31 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL24436596 | 0.92 | ITGB2 (0.32) | PARP1THRATHRBKRASPDE9A | |
| SCHEMBL29614826 | 0.92 | ITGB2 (0.32) | PARP1THRATHRBKRASPDE9A | |
| SCHEMBL29614782 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL22848359 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL29700725 | 0.82 | KRAS (0.38) | KRASTRPV1PARP2 | |
| SCHEMBL21542783 | 0.82 | KRAS (0.38) | KRASTRPV1PARP2 | |
| SCHEMBL29614843 | 0.77 | KRAS (0.43) | KRAS | |
| SCHEMBL24459984 | 0.77 | KRAS (0.39) | MAT2AKRASPDE9ATRPV1 | |
| SCHEMBL23234543 | 0.76 | TRPV1 (0.35) | KRASTRPV1 | |
| SCHEMBL29469268 | 0.76 | KRAS (0.39) | KRASTRPV1 |
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 |