Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5134339 | 1.00 | KMT2A (0.44) | KMT2ANPC1RAB9AMEN1ATM | |
| SCHEMBL2438911 | 0.88 | TBK1 (0.47) | KMT2ANPC1RAB9AMEN1HDAC1 | |
| SCHEMBL5135178 | 0.85 | HDAC1 (0.51) | KMT2ANPC1RAB9AHDAC1HDAC3 | |
| SCHEMBL2438521 | 0.74 | HDAC1 (0.53) | KMT2ANPC1RAB9AHDAC1HDAC3 | |
| SCHEMBL14312435 | 0.71 | HDAC1 (0.50) | HDAC1HDAC3HDAC2 | |
| SCHEMBL21905466 | 0.71 | HDAC2 (0.62) | RAB9AHDAC1HDAC3HDAC2L3MBTL1 | |
| SCHEMBL30142601 | 0.71 | HDAC2 (0.62) | RAB9AHDAC1HDAC3HDAC2L3MBTL1 | |
| SCHEMBL5135181 | 0.70 | LMNA (0.46) | KMT2ANPC1RAB9AHDAC1ALDH1A1 | |
| SCHEMBL14651869 | 0.69 | RAB9A (0.63) | KMT2ANPC1RAB9AHDAC1ALDH1A1 | |
| SCHEMBL18380120 | 0.69 | HDAC1 (0.71) | HDAC1HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945617-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | disclosed |