Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20702439 | 1.00 | LRRK2 (0.51) | LRRK2ADORA2AADORA1ALDH1A1NPC1 | |
| SCHEMBL3049478 | 0.82 | LRRK2 (0.53) | LRRK2ADORA2AADORA1ALDH1A1NPC1 | |
| SCHEMBL20702500 | 0.80 | LRRK2 (0.59) | LRRK2ADORA2AADORA1ALDH1A1NPC1 | |
| SCHEMBL3047856 | 0.79 | ADORA2A (0.69) | ADORA2AADORA1MEN1KMT2AADORA3 | |
| SCHEMBL2320399 | 0.77 | ALDH1A1 (0.58) | LRRK2ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL31389953 | 0.77 | NPC1 (0.58) | ADORA2AADORA1ALDH1A1NPC1RAB9A | |
| SCHEMBL5565192 | 0.75 | ADORA2A (0.83) | LRRK2ADORA2AADORA1GAAMEN1 | |
| SCHEMBL22027658 | 0.74 | ADORA2A (0.55) | LRRK2ADORA2AADORA1GAAMEN1 | |
| SCHEMBL30127956 | 0.74 | ADORA2A (0.55) | LRRK2ADORA2AADORA1GAAMEN1 | |
| SCHEMBL30128220 | 0.74 | ADORA2A (0.46) | LRRK2ADORA2AADORA1MEN1KMT2A |
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-110997681-B | Thiazolopyridine derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2022-11-15 | — | — | CN | disclosed |