Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28704506 | 0.81 | ADORA2A (0.39) | ADORA2AADORA1TDO2BACE1PDE10A | |
| SCHEMBL17555820 | 0.81 | KDM1A (0.42) | TDO2BACE1 | |
| SCHEMBL17555811 | 0.80 | KDM1A (0.45) | ADORA2AADORA1NOS3NOS2NOS1 | |
| SCHEMBL17555819 | 0.77 | TDO2 (0.48) | ADORA2AADORA1TDO2KDM4EMEN1 | |
| SCHEMBL17555834 | 0.75 | PDE3B (0.42) | ADORA2AADORA1 | |
| SCHEMBL18474589 | 0.74 | NOS3 (0.43) | NOS3NOS2KDM4EMEN1NOS1 | |
| SCHEMBL16805988 | 0.74 | PDE10A (0.37) | ADORA2AADORA1PDE10ALRRK2ADORA3 | |
| SCHEMBL17555926 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1 | |
| SCHEMBL18486943 | 0.73 | NOS1 (0.46) | NOS3NOS2NOS1 | |
| SCHEMBL17568762 | 0.73 | MAP4K4 (0.48) | TDO2NOS2 |
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-2017023972-A1 | 3-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |