Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL811142 | 1.00 | IKBKB (0.54) | IKBKBKMT2ANT5ENAMPTCYP2C9 | |
| SCHEMBL810930 | 1.00 | IKBKB (0.54) | IKBKBKMT2ANT5ENAMPTCYP2C9 | |
| SCHEMBL810378 | 0.89 | IKBKB (0.56) | IKBKBKMT2ANT5ENAMPTCYP2C9 | |
| SCHEMBL7103044 | 0.85 | IKBKB (0.59) | IKBKBKMT2ANT5ENAMPTCYP2C9 | |
| SCHEMBL7098728 | 0.83 | CYP1A2 (0.53) | IKBKBNAMPTCYP2C9CYP2C19HDAC3 | |
| SCHEMBL20095475 | 0.83 | CYP1A2 (0.53) | IKBKBNAMPTCYP2C9CYP2C19HDAC3 | |
| SCHEMBL8918236 | 0.81 | IKBKB (0.80) | IKBKBKMT2ANAMPTCYP2C9CYP2C19 | |
| Chs-828 SCHEMBL16312347 | 0.81 | IKBKB (0.80) | IKBKBKMT2ANAMPTCYP2C9CYP2C19 | |
| Chs-828 SCHEMBL12083293 | 0.81 | IKBKB (0.80) | IKBKBKMT2ANAMPTCYP2C9CYP2C19 | |
| SCHEMBL8917545 | 0.81 | IKBKB (0.80) | IKBKBKMT2ANAMPTCYP2C9CYP2C19 |
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 |