Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643236 | 1.00 | MAPT (0.53) | MAPTHTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL8078115 | 0.89 | MAPT (0.48) | MAPTHTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL8074960 | 0.85 | NAMPT (0.52) | MAPTHTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL30802492 | 0.85 | MAPT (0.56) | MAPTHTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL3644054 | 0.84 | ABCG2 (0.47) | MAPTHTTSMN1; SMN2L3MBTL1RAB9A | |
| SCHEMBL3644060 | 0.84 | ABCG2 (0.47) | MAPTHTTSMN1; SMN2L3MBTL1RAB9A | |
| SCHEMBL3768459 | 0.82 | MAPT (0.51) | MAPTHTTHPGDSMN1; SMN2LMNA | |
| SCHEMBL3768460 | 0.82 | MAPT (0.51) | MAPTHTTHPGDSMN1; SMN2LMNA | |
| SCHEMBL27782675 | 0.78 | MERTK (0.56) | MAPTHTTHPGDCYP3A4SMN1; SMN2 | |
| SCHEMBL27782705 | 0.77 | NPC1 (0.54) | MAPTHTTHPGDCYP1A2SMN1; SMN2 |
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 |