Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 14/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9739965 | 0.95 | ADORA3 (0.57) | NR1H3ADORA3ADORA1PDE10ANPC1 | |
| SCHEMBL9529986 | 0.83 | ADORA3 (0.51) | NR1H3ADORA3ADORA1ADORA2A | |
| SCHEMBL21301566 | 0.82 | NR1H3 (0.59) | NR1H3ADORA3ADORA1PDE10ANPC1 | |
| SCHEMBL1313349 | 0.81 | SPHK1 (0.52) | ADORA3RAB9AADORA2AHSD11B1SPHK1 | |
| SCHEMBL14736835 | 0.81 | PDE10A (0.54) | NR1H3ADORA3ADORA1PDE10ANPC1 | |
| Hydrochloric Acid SCHEMBL14736096 | 0.79 | PDE10A (0.53) | NR1H3ADORA3ADORA1PDE10ANPC1 | |
| SCHEMBL9739962 | 0.78 | ADORA3 (0.56) | NR1H3ADORA3ADORA1ADORA2A | |
| SCHEMBL2035500 | 0.77 | NR1H3 (0.58) | NR1H3PDE10ANPC1RAB9ANR1H2 | |
| SCHEMBL19228891 | 0.76 | TDP2 (0.47) | NR1H3ADORA3ADORA1PDE10ANPC1 | |
| SCHEMBL11511311 | 0.74 | LIPE (0.53) | NR1H3NPC1RAB9ANR1H2 |
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-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | disclosed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |