Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.52 |
| ▸ | CNR2 | P34972 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | BMP1 | P13497 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1682300 | 0.86 | CXCR4 (0.57) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682264 | 0.86 | CXCR4 (0.53) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682292 | 0.85 | SIGMAR1 (0.62) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682301 | 0.84 | CNR2 (0.60) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682324 | 0.84 | CNR2 (0.61) | CXCR4CNR2CNR1ALDH1A1LMNA | |
| SCHEMBL1682266 | 0.83 | ALDH1A1 (0.50) | CNR2CNR1ALDH1A1HPGDBMP1 | |
| SCHEMBL1682291 | 0.81 | ATM (0.47) | CXCR4CNR2CNR1ALDH1A1HPGD | |
| SCHEMBL1682346 | 0.81 | CNR2 (0.57) | CXCR4CNR2CNR1HTR2ASLC6A4 | |
| SCHEMBL1682448 | 0.81 | LTA4H (0.54) | CXCR4CNR2CNR1GAAMMP3 | |
| SCHEMBL5758854 | 0.72 | SIGMAR1 (0.67) | SIGMAR1SLC6A4 |
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 |