Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL42140 | 0.87 | — | — | |
| Cyanide SCHEMBL28324060 | 0.85 | NOS2 (0.44) | NOS3NOS2BACE1ASIC3IDH1 | |
| Acetonitrile SCHEMBL27874539 | 0.75 | NOS3 (0.45) | NOS3NOS2BACE1ASIC3CDC7 | |
| SCHEMBL3898971 | 0.75 | NOS3 (0.36) | NOS3NOS2BACE1ASIC3GRM4 | |
| Trifluoroacetic Acid SCHEMBL13837127 | 0.69 | CXCR4 (0.37) | NOS3NOS2BACE1ASIC3XIAP | |
| Ammonia Solution, Strong SCHEMBL28007440 | 0.69 | HTR7 (0.38) | BACE1HTR7HTR1ADRD2HTR2A | |
| Hydrazine SCHEMBL28032998 | 0.69 | HTR7 (0.38) | NOS3NOS2BACE1HTR7HTR1A | |
| SCHEMBL64599 | 0.68 | — | — | |
| SCHEMBL3973 | 0.68 | — | — | |
| SCHEMBL31174409 | 0.67 | — | — |
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-109641873-A | N- (pyridine -2- base) pyridine-sulfamide derivative and its purposes for disease treatment | 诺华股份有限公司 | 2019-04-16 | — | — | CN | disclosed |