Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28175534 | 0.80 | PIK3CA (0.44) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL16826895 | 0.76 | PTGS2 (0.56) | PTGS2KCNH2 | |
| SCHEMBL3754393 | 0.76 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL3157555 | 0.76 | PTGS2 (0.52) | PTGS2KCNH2PTGS1 | |
| SCHEMBL27999249 | 0.76 | AAK1 (0.44) | SYK | |
| SCHEMBL28886728 | 0.75 | AURKA (0.53) | — | |
| SCHEMBL31475459 | 0.74 | MALT1 (0.40) | PTGS2KCNH2SYKMAP4K4PIK3CA | |
| SCHEMBL16538788 | 0.74 | KCNH2 (0.53) | PTGS2KCNH2PTGS1SYKMAP4K4 | |
| SCHEMBL22340390 | 0.73 | IDH1 (0.35) | — | |
| SCHEMBL18963 | 0.73 | NPSR1 (0.49) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245017-A2 | NOVEL HETEROCYCLES | Orchid Research Laboratories Limited (IN) | 2010-11-03 | — | — | EP | claimed |
| WO-2009095773-A2 | NOVEL HETEROCYCLES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2009-08-06 | — | — | WO | claimed |
| EP-1973884-A2 | NOVEL HETEROCYCLES | Orchid Research Laboratories Limited (IN) | 2008-10-01 | — | — | EP | claimed |
| WO-2007083182-A2 | NOVEL HETEROCYCLES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-07-26 | — | — | WO | claimed |