Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1682316 | 0.91 | HTR2A (0.57) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682259 | 0.91 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682307 | 0.89 | CNR2 (0.54) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682266 | 0.89 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682261 | 0.89 | CNR2 (0.55) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682271 | 0.88 | CNR2 (0.48) | ALDH1A1SMN1; SMN2NPSR1PTGESCNR2 | |
| SCHEMBL1682331 | 0.85 | CNR2 (0.53) | ALDH1A1SMN1; SMN2NPSR1KCNH2HRH3 | |
| SCHEMBL1682452 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPSR1HRH3CNR2 | |
| SCHEMBL14303502 | 0.84 | KCNH2 (0.63) | KCNH2HRH3 | |
| SCHEMBL3324671 | 0.84 | KCNH2 (0.63) | KCNH2HRH3 |
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-2011043519-A2 | SULFONAMIDE DERIVATIVES AS SEROTONIN RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2011-04-14 | — | — | WO | claimed |
| WO-2011043519-A2 | SULFONAMIDE DERIVATIVES AS SEROTONIN RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2011-04-14 | — | — | WO | disclosed |