Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 4/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL9182853 | 0.79 | CASP3 (0.36) | CYP2A6NOS3NOS1NOS2HTR2A | |
| SCHEMBL23920265 | 0.76 | PDE3B (0.38) | NOS3NOS1NOS2HTR2C | |
| SCHEMBL9182091 | 0.76 | EGLN2 (0.36) | CYP2A6HTR2AHTR2CHTR2BCYP11B2 | |
| SCHEMBL7418032 | 0.65 | NOS2 (0.41) | DRD2DRD3TRPA1PNMTNOS3 | |
| SCHEMBL6739755 | 0.64 | — | — | |
| SCHEMBL7647780 | 0.63 | PNMT (0.44) | DRD2DRD3TRPA1PNMTNOS3 | |
| SCHEMBL11908201 | 0.63 | PNMT (0.41) | DRD2DRD3TRPA1PNMTNOS3 | |
| SCHEMBL11017385 | 0.63 | TRPA1 (0.44) | DRD2DRD3TRPA1PNMTNOS3 | |
| Water SCHEMBL28095232 | 0.63 | PNMT (0.49) | DRD2DRD3TRPA1PNMTNOS3 | |
| Bromide SCHEMBL17202846 | 0.63 | PNMT (0.52) | CYP2A6DRD2DRD3TRPA1PNMT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892623-A1 | COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF | Korea Research Institute of Chemical Technology (KR) | 2021-10-13 | — | — | EP | disclosed |