Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4951135 | 0.84 | BACE1 (0.42) | BACE1PTPN11MAPT | |
| SCHEMBL29383293 | 0.74 | CYP3A4 (0.52) | BACE1PTPN11MAPT | |
| SCHEMBL13597755 | 0.74 | GRM5 (0.42) | BACE1PTPN11 | |
| SCHEMBL1921804 | 0.74 | KCNH2 (0.48) | BACE1PTPN11 | |
| SCHEMBL1258715 | 0.74 | CYP3A4 (0.52) | BACE1PTPN11MAPT | |
| SCHEMBL13918951 | 0.71 | FFAR1 (0.41) | BACE1PTPN11 | |
| SCHEMBL27513483 | 0.70 | — | — | |
| SCHEMBL15427894 | 0.69 | LMNA (0.44) | BACE1PTPN11 | |
| SCHEMBL28902313 | 0.69 | IDO1 (0.38) | BACE1PTPN11MAPT | |
| SCHEMBL9695259 | 0.69 | BACE1 (0.35) | BACE1PTPN11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | disclosed |