Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693115 | 0.73 | CA2 (0.39) | CA2CHKAACACBNPSR1ALOX5AP | |
| SCHEMBL24637811 | 0.72 | CA2 (0.46) | CA2CHKAACACBNPSR1KDM4E | |
| SCHEMBL4693118 | 0.71 | CA2 (0.42) | CA2CHKAACACBALOX5APFEN1 | |
| SCHEMBL3374778 | 0.69 | PPARD (0.40) | CA2CHKACNR1MAPTKMT2A | |
| SCHEMBL23361197 | 0.68 | PKM (0.50) | CA2CHKASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL15500846 | 0.66 | NOTUM (0.45) | CA2CHKASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28853431 | 0.66 | LMNA (0.60) | CA2SMN1; SMN2NPSR1KDM4EALDH1A1 | |
| SCHEMBL30636498 | 0.66 | LMNA (0.60) | CA2SMN1; SMN2NPSR1KDM4EALDH1A1 | |
| SCHEMBL28788509 | 0.66 | KDM4E (0.45) | SMN1; SMN2NPSR1KDM4EALDH1A1HPGD | |
| SCHEMBL29113156 | 0.65 | LMNA (0.43) | CA2ALDH1A1MAPTKMT2ABRAF |
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 |