Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3786899 | 0.84 | APP (0.57) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL7787519 | 0.83 | HNF4A (0.41) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL1195805 | 0.83 | APP (0.71) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL2114742 | 0.80 | APP (0.75) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL5871989 | 0.80 | APP (0.75) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL3275176 | 0.78 | MAPT (0.61) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL28739816 | 0.78 | ALOX5 (0.53) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL13820817 | 0.78 | APP (0.44) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL31369296 | 0.78 | APP (0.44) | APPCYP1A2MAPTNPC1CYP3A4 | |
| SCHEMBL5052289 | 0.77 | APP (0.55) | APPCYP1A2MAPTNPC1CYP3A4 |
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-0854849-B1 | ETHYNYL SUBSTITUTED AROMATIC COMPOUNDS, SYNTHESIS, POLYMERS AND USES THEREOF | DOW CHEMICAL CO (US) | 2001-10-31 | — | — | EP | disclosed |
| US-6252001-B1 | ACETYLENIC POLYMER | THE DOW CHEMICAL COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6121495-A | Ethynyl substituted aromatic compounds, synthesis, polymers and uses thereof | THE DOW CHEMICAL COMPANY (US) | 2000-09-19 | — | — | US | disclosed |