Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 9/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30746955 | 1.00 | PRKDC (0.39) | PRKDCLRRK2CYP3A4CYP1A2MEN1 | |
| SCHEMBL30961241 | 0.81 | MAT2A (0.37) | LRRK2CYP3A4MEN1ALDH1A1LMNA | |
| SCHEMBL31131274 | 0.81 | ENPP1 (0.47) | PRKDCLRRK2CYP3A4CYP1A2MEN1 | |
| SCHEMBL30747006 | 0.78 | LRRK2 (0.39) | PRKDCLRRK2LMNAALOX15JAK3 | |
| SCHEMBL31553808 | 0.78 | LRRK2 (0.39) | PRKDCLRRK2LMNAALOX15JAK3 | |
| SCHEMBL30961224 | 0.74 | HTR3A (0.37) | LRRK2CYP3A4CYP1A2ALDH1A1CYP2D6 | |
| SCHEMBL31553795 | 0.74 | HTR3A (0.37) | LRRK2CYP3A4CYP1A2ALDH1A1CYP2D6 | |
| SCHEMBL31540834 | 0.74 | JAK3 (0.53) | CYP3A4CYP1A2MEN1ALDH1A1LMNA | |
| SCHEMBL30887731 | 0.74 | PRKDC (0.35) | PRKDCLRRK2JAK3SCN10A | |
| SCHEMBL31553829 | 0.72 | PIM1 (0.39) | LRRK2CYP1A2ALDH1A1HRH4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-117263959-A | Preparation and application of aromatic KRAS mutant protein inhibitor | 药雅科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |