Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 9/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 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 | |
|---|---|---|---|---|
| SCHEMBL31553808 | 1.00 | LRRK2 (0.39) | LRRK2CCNCCDK8JAK3SIGMAR1 | |
| SCHEMBL30782481 | 0.84 | ADORA3 (0.38) | LRRK2JAK3PRKDCNPC1LMNA | |
| SCHEMBL30961223 | 0.84 | LRRK2 (0.39) | LRRK2JAK3SCN10APRKDCLMNA | |
| SCHEMBL30746978 | 0.84 | LRRK2 (0.39) | LRRK2JAK3SCN10APRKDCLMNA | |
| SCHEMBL31553945 | 0.79 | MAPT (0.50) | CCNCCDK8JAK3SIGMAR1NPC1 | |
| SCHEMBL30746955 | 0.78 | PRKDC (0.39) | LRRK2CCNCCDK8JAK3SCN10A | |
| SCHEMBL30746993 | 0.78 | PRKDC (0.39) | LRRK2CCNCCDK8JAK3SCN10A | |
| SCHEMBL30883512 | 0.72 | CYP1A2 (0.42) | LRRK2SCN10A | |
| SCHEMBL16190534 | 0.72 | ACACB (0.46) | LRRK2SIGMAR1ACACB | |
| SCHEMBL31323088 | 0.72 | PTK2 (0.49) | LRRK2CCNCCDK8JAK3PRKDC |
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 |