Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15940490 | 0.85 | KMT2A (0.40) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL26098394 | 0.82 | ALDH1A1 (0.37) | ALDH1A1KMT2AGAAMEN1MAPK1 | |
| SCHEMBL3708261 | 0.82 | KMT2A (0.37) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL5100980 | 0.82 | KDM4E (0.46) | ALDH1A1KMT2AMEN1SMN1; SMN2NPC1 | |
| SCHEMBL30456291 | 0.81 | GRM5 (0.36) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL12750400 | 0.80 | KCNQ3 (0.54) | ALDH1A1KMT2AGAAMEN1MAPK1 | |
| SCHEMBL9808157 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL16372367 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL17891597 | 0.79 | GAA (0.35) | ALDH1A1KMT2AGAAMEN1SMN1; SMN2 | |
| SCHEMBL1538399 | 0.78 | KMT2A (0.35) | ALDH1A1KMT2AGAAMEN1S1PR2 |
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 |