Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.58 |
| ▸ | NAMPT | P43490 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 7/20 | 0.37 |
| ▸ | PTAFR | P25105 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8916902 | 0.85 | IKBKB (0.64) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14234450 | 0.85 | IKBKB (0.66) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8917545 | 0.84 | IKBKB (0.80) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL810990 | 0.84 | IKBKB (0.80) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8918236 | 0.84 | IKBKB (0.80) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL16312347 | 0.84 | IKBKB (0.80) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8918690 | 0.84 | IKBKB (0.64) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL12083293 | 0.84 | IKBKB (0.80) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL7148798 | 0.83 | IKBKB (0.79) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL7142976 | 0.83 | IKBKB (0.79) | IKBKBNAMPTCYP3A4CYP2D6CYP2C9 |
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-1397355-B1 | PYRIDYL CYANOGUANIDINE COMPOUNDS | LEO PHARMA AS (DK) | 2009-09-09 | — | — | EP | claimed |
| EP-1397355-B1 | PYRIDYL CYANOGUANIDINE COMPOUNDS | LEO PHARMA AS (DK) | 2009-09-09 | — | — | EP | disclosed |