Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 13/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20095479 | 0.80 | IKBKB (0.50) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17554809 | 0.79 | IKBKB (0.42) | QPCTSMN1; SMN2 | |
| SCHEMBL1703123 | 0.78 | NAMPT (0.46) | SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13277186 | 0.78 | NAMPT (0.46) | SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL504572 | 0.78 | QPCT (0.63) | QPCTNPC1SMN1; SMN2 | |
| SCHEMBL20095475 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7098728 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13449974 | 0.76 | IKBKB (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL810402 | 0.75 | IKBKB (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13770987 | 0.75 | IKBKB (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397355-B1 | PYRIDYL CYANOGUANIDINE COMPOUNDS | LEO PHARMA AS (DK) | 2009-09-09 | — | — | 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 |
| EP-1397355-B1 | PYRIDYL CYANOGUANIDINE COMPOUNDS | LEO PHARMA AS (DK) | 2009-09-09 | — | — | EP | disclosed |