Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3783231 | 0.84 | ALDH1A1 (0.37) | ALDH1A1MAP2K3LDHAMEN1KMT2A | |
| SCHEMBL3776220 | 0.80 | ALDH1A1 (0.38) | ALDH1A1MAP2K3LDHACTRCMEN1 | |
| SCHEMBL10900818 | 0.74 | ALDH1A1 (0.64) | ALDH1A1MAP2K3LDHACTRCCASP1 | |
| SCHEMBL12818210 | 0.71 | KMT2A (0.60) | ALDH1A1MAP2K3LDHACASP1MEN1 | |
| SCHEMBL3644935 | 0.70 | MAP2K3 (0.57) | ALDH1A1MAP2K3LDHAMEN1KMT2A | |
| SCHEMBL3199778 | 0.68 | NPC1 (0.58) | ALDH1A1MEN1KMT2ARAB9AL3MBTL1 | |
| SCHEMBL23702940 | 0.67 | MEN1 (0.48) | ALDH1A1CTRCMEN1KMT2ARAB9A | |
| SCHEMBL2300923 | 0.67 | L3MBTL1 (0.53) | ALDH1A1MEN1KMT2ARAB9AL3MBTL1 | |
| SCHEMBL27810693 | 0.67 | MAP2K3 (0.53) | ALDH1A1MAP2K3MEN1KMT2ARAB9A | |
| SCHEMBL3210688 | 0.67 | MEN1 (0.43) | ALDH1A1MAP2K3LDHAMEN1KMT2A |
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-2170339-B1 | PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-10-15 | — | — | EP | disclosed |
| EP-2170339-A2 | PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009005638-A2 | PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2009-01-08 | — | — | WO | disclosed |