Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15316713 | 0.73 | NOS3 (0.34) | NOS3NOS1NOS2TSHRMAPK1 | |
| SCHEMBL17407845 | 0.70 | NOS3 (0.33) | NOS3NOS1NOS2TSHRMAPK1 | |
| SCHEMBL20925726 | 0.65 | CYP1A2 (0.47) | — | |
| SCHEMBL18199915 | 0.65 | CCR1 (0.50) | NOS3NOS1NOS2TSHRMAPK1 | |
| SCHEMBL20939194 | 0.64 | CEL (0.37) | TLR7 | |
| SCHEMBL3625374 | 0.64 | GABRA1 (0.44) | NOS3NOS1NOS2TLR7 | |
| SCHEMBL18858520 | 0.63 | NOS3 (0.40) | NOS3NOS1NOS2TSHRMAPK1 | |
| SCHEMBL19413635 | 0.62 | NOS3 (0.41) | NOS3NOS1NOS2TSHRMAPK1 | |
| SCHEMBL5531880 | 0.61 | ESR1 (0.41) | NOS3NOS1NOS2TSHR | |
| SCHEMBL17229286 | 0.60 | PDE10A (0.42) | NOS3NOS1NOS2 |
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-2019076986-A1 | 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-04-25 | — | — | WO | disclosed |