Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13985027 | 0.90 | ADORA3 (0.51) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL4313640 | 0.85 | HDAC1 (0.47) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL2441079 | 0.85 | HDAC1 (0.47) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL2436869 | 0.84 | CACNA1B (0.55) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL4453120 | 0.82 | HDAC1 (0.52) | ADORA3HDAC1HDAC2 | |
| SCHEMBL4552687 | 0.82 | ADORA3 (0.48) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL8247044 | 0.81 | HDAC1 (0.52) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL2436301 | 0.81 | HDAC1 (0.48) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL4552688 | 0.81 | ADORA3 (0.48) | ADORA3HDAC1HDAC2LMNAKDM4E | |
| SCHEMBL8241591 | 0.81 | DGAT1 (0.53) | ADORA3HDAC1HDAC2LMNAKDM4E |
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 |