Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | EP300 | Q09472 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1682287 | 0.91 | CXCR4 (0.53) | CXCR4HTR2AHTR2CCNR2OPRM1 | |
| SCHEMBL1682296 | 0.89 | HTR2A (0.53) | CXCR4HTR2AHTR2COPRM1EP300 | |
| SCHEMBL1682262 | 0.88 | CXCR4 (0.51) | CXCR4CNR2OPRM1ALDH1A1 | |
| SCHEMBL1682314 | 0.87 | HTR2A (0.62) | CXCR4HTR2AHTR2CCNR2OPRM1 | |
| SCHEMBL1682317 | 0.86 | CHRM4 (0.50) | CXCR4HTR2AHTR2COPRM1KMT2A | |
| SCHEMBL1682312 | 0.86 | HTT (0.54) | CXCR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL7213083 | 0.86 | NPC1 (0.53) | CXCR4KMT2AMEN1RAB9AEP300 | |
| SCHEMBL1682413 | 0.85 | HTR2A (0.53) | CXCR4HTR2AHTR2COPRM1KMT2A | |
| SCHEMBL1682260 | 0.85 | CXCR4 (0.48) | CXCR4HTR2AHTR2COPRM1EP300 | |
| SCHEMBL1682268 | 0.85 | USP2 (0.55) | CXCR4HTR2AKMT2AMEN1KDM4E |
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 |