Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL1682296 | 0.90 | HTR2A (0.53) | HTR2AHTR2CHTTSIGMAR1DRD2 | |
| SCHEMBL1682282 | 0.88 | MEN1 (0.48) | HTR2AHTR2CMEN1KMT2ASIGMAR1 | |
| SCHEMBL1682275 | 0.88 | BCHE (0.49) | HTR2AHTR2CDRD2CHRM2CHRM3 | |
| SCHEMBL1682312 | 0.87 | HTT (0.54) | ALDH1A1HTTMEN1KMT2ACHRM2 | |
| SCHEMBL1682328 | 0.84 | ALDH1A1 (0.55) | KDM4EALDH1A1HTR2AHTR2CKMT2A | |
| SCHEMBL1682289 | 0.83 | SCN8A (0.49) | HTR2AHTR2CCHRM2CHRM3 | |
| SCHEMBL1682317 | 0.83 | CHRM4 (0.50) | HTR2AHTR2CMEN1KMT2ADRD2 | |
| SCHEMBL1682262 | 0.82 | CXCR4 (0.51) | ALDH1A1 | |
| SCHEMBL1682260 | 0.82 | CXCR4 (0.48) | ALDH1A1HTR2AHTR2CHTTSIGMAR1 | |
| SCHEMBL1682268 | 0.82 | USP2 (0.55) | KDM4EALDH1A1HTR2AMEN1KMT2A |
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 |