Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 10/20 | 0.40 |
| ▸ | NOS3 | P29474 | 6/20 | 0.40 |
| ▸ | NOS2 | P35228 | 8/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000659 | 0.83 | NPC1 (0.47) | NOS1NOS3NOS2IDO1 | |
| SCHEMBL9391584 | 0.74 | GRM4 (0.43) | NOS1NOS3NOS2CDK2 | |
| SCHEMBL28810940 | 0.73 | IDO1 (0.35) | NOS1NOS3IDO1BACE1 | |
| SCHEMBL28040110 | 0.68 | ALDH1A1 (0.51) | IDO1 | |
| SCHEMBL14814345 | 0.66 | CLK1 (0.37) | — | |
| SCHEMBL14642748 | 0.66 | — | — | |
| SCHEMBL11400820 | 0.66 | — | — | |
| SCHEMBL12466519 | 0.66 | MBOAT4 (0.37) | BACE1 | |
| SCHEMBL5251885 | 0.66 | IDO1 (0.50) | IDO1 | |
| SCHEMBL21384229 | 0.66 | GABRP (0.44) | NOS3NOS2IDO1BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105324380-A | Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors | ABBVIE INC | 2016-02-10 | — | — | CN | disclosed |