Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | TYK2 | P29597 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL810378 | 0.89 | IKBKB (0.56) | CYP1A2CYP2C9CYP2C19NAAAHDAC3 | |
| SCHEMBL30142965 | 0.86 | SMN1; SMN2 (0.51) | HDAC3HDAC1HDAC6HDAC4HDAC7 | |
| SCHEMBL20095475 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19HDAC3HDAC1 | |
| SCHEMBL7098728 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19HDAC3HDAC1 | |
| SCHEMBL2550296 | 0.81 | SIGMAR1 (0.46) | ALDH1A1NAMPT | |
| SCHEMBL25642148 | 0.81 | SIGMAR1 (0.46) | ALDH1A1NAMPT | |
| SCHEMBL2550291 | 0.81 | SIGMAR1 (0.46) | ALDH1A1NAMPT | |
| SCHEMBL20095479 | 0.81 | IKBKB (0.50) | CYP1A2CYP2C9CYP2C19NAAAHDAC1 | |
| SCHEMBL2552769 | 0.80 | SIGMAR1 (0.47) | ALDH1A1NAMPT | |
| SCHEMBL2552771 | 0.80 | SIGMAR1 (0.47) | ALDH1A1NAMPT |
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-0984938-B1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMA AS WITH SECONDARY N (DK) | 2003-09-10 | — | — | EP | claimed |
| 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 |