Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.53 |
| ▸ | CNR2 | P34972 | 3/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1682292 | 0.89 | SIGMAR1 (0.62) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682300 | 0.88 | CXCR4 (0.57) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682301 | 0.86 | CNR2 (0.60) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682324 | 0.86 | CNR2 (0.61) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682302 | 0.86 | CXCR4 (0.52) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682346 | 0.83 | CNR2 (0.57) | CXCR4CNR2CNR1HTR2ASLC6A4 | |
| SCHEMBL1682448 | 0.82 | LTA4H (0.54) | CXCR4CNR2CNR1GAAHRH3 | |
| SCHEMBL1682267 | 0.81 | ALDH1A1 (0.52) | CNR2ALDH1A1SMN1; SMN2PTGESHRH3 | |
| SCHEMBL1682271 | 0.79 | CNR2 (0.48) | CNR2CNR1ALDH1A1SMN1; SMN2PTGES | |
| SCHEMBL5011454 | 0.76 | HTR2A (0.77) | CNR2RORCHTR2AHTR2CSLC6A4 |
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 |