Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.31 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL4693113 | 0.73 | CA2 (0.40) | CA2CHKAPIK3CAACACBCNR1 | |
| SCHEMBL23361197 | 0.73 | PKM (0.50) | CA2CHKAPKM | |
| SCHEMBL4693118 | 0.72 | CA2 (0.42) | CA2CHKAPIK3CAACACBCNR1 | |
| SCHEMBL24637811 | 0.71 | CA2 (0.46) | CA2CHKAPIK3CAACACBALOX5AP | |
| SCHEMBL28788509 | 0.70 | KDM4E (0.45) | NPSR1L3MBTL1 | |
| SCHEMBL29728885 | 0.68 | CA2 (0.43) | CA2CHKAALOX5APFEN1 | |
| SCHEMBL13096878 | 0.68 | CA2 (0.40) | CA2CHKAALOX5APFEN1 | |
| SCHEMBL3374778 | 0.68 | PPARD (0.40) | CA2CHKACNR1 | |
| SCHEMBL13096876 | 0.67 | CA2 (0.42) | CA2CHKACNR1ALOX5APFEN1 | |
| SCHEMBL28051788 | 0.65 | CA2 (0.52) | CA2CHKASCN9AGRM2 |
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-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |