Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.30 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.30 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL3374778 | 0.86 | PPARD (0.40) | CA2CHKACNR1PPARD | |
| SCHEMBL13083367 | 0.77 | PPARA (0.37) | CNR1PPARD | |
| SCHEMBL4693115 | 0.72 | CA2 (0.39) | CA2CHKACNR1PIK3CAACACB | |
| SCHEMBL3373188 | 0.71 | CNR1 (0.35) | CNR1PIK3CAACACBGRM2SLC6A9 | |
| SCHEMBL4693113 | 0.71 | CA2 (0.40) | CA2CHKACNR1PIK3CAACACB | |
| SCHEMBL23361197 | 0.70 | PKM (0.50) | CA2CHKAPPARD | |
| SCHEMBL3584331 | 0.70 | KMT2A (0.51) | CNR1 | |
| SCHEMBL28051788 | 0.68 | CA2 (0.52) | CA2CHKAPARP1GRM2 | |
| SCHEMBL23374465 | 0.68 | CA2 (0.47) | CA2CHKAPARP1GRM2MAP3K7 | |
| SCHEMBL28788509 | 0.68 | KDM4E (0.45) | — |
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 |