Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10603067 | 0.89 | ALDH1A1 (0.67) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| SCHEMBL28309820 | 0.87 | ALDH1A1 (0.65) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| Methyl Nicotinate SCHEMBL820747 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| Methyl Nicotinate SCHEMBL24566 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| Methyl Nicotinate SCHEMBL29386553 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| SCHEMBL28520745 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| SCHEMBL31648307 | 0.85 | ALDH1A1 (0.71) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| SCHEMBL30659698 | 0.85 | ALDH1A1 (0.71) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| SCHEMBL2491556 | 0.85 | ALDH1A1 (0.71) | ALDH1A1KMT2AL3MBTL1APPGAA | |
| Methyl Nicotinate SCHEMBL11491005 | 0.84 | ALDH1A1 (0.96) | ALDH1A1KMT2AL3MBTL1APPGAA |
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-2170058-A1 | CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES | Merck Sharp & Dohme Corp. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156715-A1 | CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| EP-1954287-A2 | CETP INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007070173-A2 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2007-06-21 | — | — | WO | disclosed |