Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1538053 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL1529870 | 0.65 | KDM4E (0.40) | CHRM2CHRM1 | |
| SCHEMBL1529978 | 0.62 | BAZ2B (0.36) | — | |
| SCHEMBL21952429 | 0.62 | CES1 (0.67) | CES1PTPRCPABPC1DNMT1ESR1 | |
| SCHEMBL28541165 | 0.61 | TSHR (0.39) | CHRM2CHRM1 | |
| SCHEMBL28691889 | 0.61 | CHRM2 (0.36) | CHRM2CHRM1 | |
| SCHEMBL28691887 | 0.61 | CHRM2 (0.36) | CHRM2CHRM1 | |
| SCHEMBL28675345 | 0.61 | MAPK1 (0.44) | CHRM2CHRM1 | |
| SCHEMBL29183945 | 0.58 | NISCH (0.41) | — | |
| SCHEMBL22733886 | 0.58 | CES1 (0.52) | CES1PTPRCCHRM2CHRM1PABPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021178-A4 | SELENOPHENE ANTI-TUMOR AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2002-04-10 | — | — | EP | disclosed |
| EP-1021178-A1 | SELENOPHENE ANTI-TUMOR AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1997046225-A1 | SELENOPHENE ANTI-TUMOR AGENTS | PURDUE RESEARCH FOUNDATION (US) | 1997-12-11 | — | — | WO | disclosed |