Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.45 |
| ▸ | FEN1 | P39748 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL11683554 | 0.81 | KDM1A (0.53) | KDM1AMAOBDHFRIDO1MAP4K4 | |
| SCHEMBL16826157 | 0.79 | KDM1A (0.50) | KDM1AIDO1MAP4K4HSD17B1HSD17B2 | |
| SCHEMBL2614946 | 0.79 | KDM1A (0.50) | KDM1AMAOBIDO1HSD17B1HSD17B2 | |
| SCHEMBL2134773 | 0.79 | KDM1A (0.61) | KDM1AMAOBDHFRIDO1MAP4K4 | |
| SCHEMBL2323103 | 0.79 | MAP4K4 (0.57) | IDO1MAP4K4HSD17B1HSD17B2ALOX5AP | |
| SCHEMBL6820766 | 0.79 | HSD17B1 (0.79) | KDM1AMAP4K4HSD17B1HSD17B2ADORA1 | |
| SCHEMBL29818187 | 0.79 | MAP4K4 (0.57) | IDO1MAP4K4HSD17B1HSD17B2ALOX5AP | |
| SCHEMBL2609392 | 0.78 | IDO1 (0.45) | KDM1AMAOBDHFRIDO1MAP4K4 | |
| SCHEMBL2322762 | 0.77 | SLC6A2 (0.49) | KDM1AMAOBMAP4K4ALOX5APFEN1 | |
| SCHEMBL934072 | 0.77 | FEN1 (0.62) | ADORA2AADORA1ALOX5APFEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1343503-B1 | HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007096764-A2 | BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2007-08-30 | — | — | WO | disclosed |