Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 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 | |
|---|---|---|---|---|
| SCHEMBL19207295 | 0.91 | MAP4K4 (0.42) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207290 | 0.91 | ADORA3 (0.39) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207284 | 0.89 | MAPT (0.40) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207325 | 0.86 | ALDH1A1 (0.38) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207351 | 0.84 | MAPT (0.37) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207338 | 0.84 | JAK2 (0.40) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207254 | 0.83 | HPGDS (0.39) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207336 | 0.81 | CNR2 (0.41) | ADORA3NPC1RAB9AMAP4K4CNR1 | |
| SCHEMBL19259332 | 0.81 | ADORA3 (0.35) | GSK3BADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL19207339 | 0.79 | CTRC (0.39) | ADORA3ADORA1ALDH1A1SMN1; SMN2NPC1 |
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-3411365-B1 | PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-11-20 | — | — | EP | disclosed |
| WO-2017133990-A1 | PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-10 | — | — | WO | disclosed |