Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 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 | |
|---|---|---|---|---|
| SCHEMBL586874 | 0.82 | CYP2A6 (0.47) | CYP1A2CYP2A6 | |
| SCHEMBL8934135 | 0.80 | NOS3 (0.53) | NOS3NOS1NOS2UHRF1CYP1A2 | |
| SCHEMBL394958 | 0.74 | GPR84 (0.42) | MAOACYP2A6 | |
| SCHEMBL3297032 | 0.74 | GPR84 (0.42) | MAOACYP2A6 | |
| SCHEMBL27373931 | 0.71 | GPR84 (0.38) | MAOALRRK2BACE1CYP2A6 | |
| SCHEMBL8296659 | 0.68 | CYP2A6 (0.47) | CYP1A2CYP2A6 | |
| SCHEMBL12276737 | 0.68 | PDPK1 (0.47) | LRRK2BACE1CYP2A6 | |
| SCHEMBL30758727 | 0.68 | CYP2A6 (0.47) | CYP1A2CYP2A6 | |
| SCHEMBL21469035 | 0.67 | CYP1A2 (0.36) | UHRF1CYP1A2CYP2A6ABL1DHFR | |
| SCHEMBL10289632 | 0.66 | GPR84 (0.48) | MAOACYP2A6 |
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-1996032391-A1 | PROCESS FOR PREPARING AZAINDOLES WITH AN ACTIVATED COPPER CHROMITE CATALYST BY CATALYTIC DEHYDROCYCLISATION OF ALKYLPYRIDYLAMINES (PYRIDOPYRIDINES) | LONZA AG (CH) | 1996-10-17 | — | — | WO | disclosed |