Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.42 |
| ▸ | NOS3 | P29474 | 8/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL7420397 | 0.77 | NOS2 (0.49) | NOS2NOS3NOS1SIGMAR1HRH4 | |
| SCHEMBL2430216 | 0.74 | DRD1 (0.43) | CYP1A2CYP2D6CHEK1DAPK3LTK | |
| SCHEMBL29940483 | 0.74 | DRD1 (0.43) | CYP1A2CYP2D6CHEK1DAPK3LTK | |
| SCHEMBL7406099 | 0.73 | HRH4 (0.70) | HRH4DRD2DRD1DRD4DRD5 | |
| SCHEMBL3626217 | 0.69 | NOS3 (0.52) | NOS2NOS3NOS1SIGMAR1CYP1A2 | |
| SCHEMBL7408067 | 0.68 | HRH4 (0.55) | HRH4DRD2DRD1DRD4DRD5 | |
| SCHEMBL84394 | 0.68 | NOS3 (0.65) | NOS2NOS3NOS1SIGMAR1CYP1A2 | |
| SCHEMBL7418163 | 0.67 | BACE1 (0.46) | NOS2NOS3CYP1A2CYP2D6KDM4E | |
| SCHEMBL5922015 | 0.66 | CHEK1 (0.41) | NOS2NOS3NOS1SIGMAR1CHEK1 | |
| SCHEMBL1823075 | 0.66 | NOS2 (0.39) | NOS2NOS3CHEK1DAPK3LTK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | claimed |
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |