Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18824114 | 0.87 | ALOX15 (0.47) | ADORA3ADORA2AADORA1ADORA2BRIPK1 | |
| SCHEMBL19207313 | 0.82 | NPC1 (0.51) | ADORA3ADORA2ASCN9AADORA1NPC1 | |
| SCHEMBL18389333 | 0.82 | MAPT (0.46) | ADORA3ADORA2ASCN9AADORA1RIPK1 | |
| SCHEMBL19207281 | 0.79 | CA12 (0.54) | ADORA3ADORA2ASCN9AADORA1ALDH1A1 | |
| SCHEMBL19207267 | 0.79 | ADORA3 (0.42) | ADORA3ADORA2ASCN9AADORA1NPC1 | |
| SCHEMBL19207293 | 0.78 | MAP4K4 (0.48) | ADORA3ADORA2ASCN9AADORA1NPC1 | |
| SCHEMBL18823914 | 0.78 | ADORA3 (0.44) | ADORA3ADORA2ASCN9AADORA1HDAC4 | |
| SCHEMBL19259013 | 0.77 | ADORA3 (0.41) | ADORA3ADORA2ASCN9AADORA1HDAC4 | |
| SCHEMBL19207263 | 0.77 | ADORA3 (0.41) | ADORA3ADORA2ASCN9AADORA1HDAC4 | |
| SCHEMBL19207307 | 0.76 | HPGDS (0.42) | ADORA3ADORA2ASCN9AADORA1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017133990-A1 | PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-10 | — | — | WO | disclosed |