Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.56 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL810238 | 0.89 | IKBKB (0.54) | IKBKBNT5EKMT2AHDAC3HDAC4 | |
| SCHEMBL811142 | 0.89 | IKBKB (0.54) | IKBKBNT5EKMT2AHDAC3HDAC4 | |
| SCHEMBL810930 | 0.89 | IKBKB (0.54) | IKBKBNT5EKMT2AHDAC3HDAC4 | |
| SCHEMBL810405 | 0.89 | CYP1A2 (0.50) | IKBKBHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7103044 | 0.87 | IKBKB (0.59) | IKBKBNT5EKMT2ACYP2C9CYP2C19 | |
| SCHEMBL810996 | 0.86 | PSEN1 (0.53) | IKBKBKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL6615293 | 0.84 | CYP11B1 (0.57) | KMT2AMAPK1NAMPT | |
| Chs-828 SCHEMBL16312347 | 0.83 | IKBKB (0.80) | IKBKBKMT2AMAPK1CYP2C9CYP2C19 | |
| Chs-828 SCHEMBL12083293 | 0.83 | IKBKB (0.80) | IKBKBKMT2AMAPK1CYP2C9CYP2C19 | |
| SCHEMBL8918236 | 0.83 | IKBKB (0.80) | IKBKBKMT2AMAPK1CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2394649-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF | Tianjin Hemay Bio-Tech Co., Ltd. (CN) | 2011-12-14 | — | — | EP | disclosed |