Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL809770 | 0.89 | HRH4 (0.49) | IKBKBHRH4PTAFR | |
| SCHEMBL20095479 | 0.82 | IKBKB (0.50) | IKBKBKEAP1NFE2L2NAMPTCYP3A4 | |
| SCHEMBL809903 | 0.80 | NAMPT (0.46) | IKBKBHRH4NAMPTALDH1A1 | |
| SCHEMBL7098728 | 0.79 | CYP1A2 (0.53) | IKBKBKEAP1NFE2L2NAMPTCYP2C9 | |
| SCHEMBL20095475 | 0.79 | CYP1A2 (0.53) | IKBKBKEAP1NFE2L2NAMPTCYP2C9 | |
| SCHEMBL13770987 | 0.77 | IKBKB (0.46) | IKBKBKEAP1NFE2L2NAMPT | |
| SCHEMBL504616 | 0.77 | HRH4 (0.51) | HRH4HRH2PTAFRP2RX7 | |
| SCHEMBL810405 | 0.76 | CYP1A2 (0.50) | IKBKBNAMPTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3825375 | 0.76 | IKBKB (0.58) | IKBKBNAMPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL810972 | 0.75 | QPCT (0.51) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 |
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 |