Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15147961 | 0.95 | KCNH2 (0.45) | TLR8TAAR1KCNH2HSD11B1CYP19A1 | |
| SCHEMBL28016575 | 0.94 | KCNH2 (0.47) | TLR8KCNH2TLR7CYP19A1NPC1 | |
| Ammonia Solution, Strong SCHEMBL27918102 | 0.93 | KCNH2 (0.46) | TLR8KCNH2TLR7CYP19A1NPC1 | |
| SCHEMBL7665114 | 0.90 | TAAR1 (0.42) | TAAR1ADORA2AGAACYP19A1NR1H2 | |
| SCHEMBL27864776 | 0.89 | CYP19A1 (0.44) | TLR8KCNH2TLR7CYP19A1NPC1 | |
| SCHEMBL9214238 | 0.88 | TLR8 (0.43) | TLR8TAAR1ADORA3ADORA2APARP1 | |
| Ethylene SCHEMBL28202240 | 0.84 | TLR8 (0.43) | TLR8TAAR1ADORA3ADORA2APARP1 | |
| SCHEMBL28356909 | 0.83 | KCNH2 (0.50) | TAAR1KCNH2GAANR1H2NR1H3 | |
| Biphenyl SCHEMBL7417032 | 0.83 | PARP1 (0.43) | ADORA3ADORA2APARP1KCNH2HSD11B1 | |
| SCHEMBL1723556 | 0.81 | TAAR1 (0.48) | TAAR1ADORA2AGAANR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |