Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4453120 | 0.96 | HDAC1 (0.52) | HDAC1ADORA3HDAC2HDAC3HDAC4 | |
| SCHEMBL2441079 | 0.92 | HDAC1 (0.47) | HDAC1ADORA3HDAC2HDAC3 | |
| SCHEMBL14312496 | 0.88 | ADORA3 (0.53) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14312607 | 0.88 | HDAC1 (0.53) | HDAC1ADORA3HDAC2HDAC3HDAC4 | |
| SCHEMBL14312488 | 0.87 | ADORA3 (0.49) | HDAC1ADORA3KMT2AMIFMEN1 | |
| SCHEMBL14312442 | 0.87 | HDAC1 (0.54) | HDAC1ADORA3HDAC2HDAC3HDAC4 | |
| SCHEMBL14312583 | 0.86 | HDAC1 (0.50) | HDAC1HDAC2HDAC3MIF | |
| SCHEMBL14312744 | 0.85 | HDAC1 (0.55) | TSHRHDAC1ADORA3HDAC2HDAC3 | |
| SCHEMBL14312420 | 0.85 | HDAC1 (0.46) | HDAC1ADORA3HDAC2HDAC3HDAC4 | |
| SCHEMBL14312860 | 0.85 | HDAC1 (0.54) | HDAC1ADORA3HDAC2HDAC3HDAC4 |
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 |