Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL22027676 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL20702393 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL30128012 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL22027674 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL22063895 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRHSD17B10AHR | |
| SCHEMBL24060107 | 0.84 | ADORA2A (0.44) | ALDH1A1MAPTADORA2AADORA1 | |
| SCHEMBL22063313 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL29605849 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPTTSHRHSD17B10AHR | |
| SCHEMBL22063508 | 0.83 | ADORA2A (0.51) | ALDH1A1MAPTTSHRHSD17B10ADORA3 | |
| SCHEMBL30128039 | 0.83 | PIK3CD (0.41) | ALDH1A1MAPTTSHRHSD17B10MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |