Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL846091 | 1.00 | LRRK2 (0.42) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL15659375 | 0.78 | CYP11B2 (0.45) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL13074742 | 0.78 | LRRK2 (0.40) | LRRK2ALDH1A1NPSR1KMT2AMEN1 | |
| SCHEMBL28296292 | 0.78 | LRRK2 (0.40) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL245839 | 0.78 | CSNK1A1 (0.41) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL30211311 | 0.78 | LRRK2 (0.40) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL1119092 | 0.78 | FFAR1 (0.42) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL3287530 | 0.78 | LRRK2 (0.40) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL31321212 | 0.78 | CSNK1A1 (0.41) | LRRK2ALDH1A1NPSR1TDP1KMT2A | |
| SCHEMBL4103795 | 0.77 | RXFP1 (0.34) | — |
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-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |