Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3832148 | 1.00 | APP (0.46) | APPCYP2C19SCN9AENPP2NPC1 | |
| SCHEMBL9475630 | 0.78 | CYP2C19 (0.66) | APPCYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9475636 | 0.78 | CYP2C19 (0.66) | APPCYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3617010 | 0.78 | ALDH1A1 (0.50) | APPNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3173659 | 0.76 | ACE (0.46) | SCN9ARAB9ASMN1; SMN2PDK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3615277 | 0.72 | CYP11B1 (0.41) | NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3615276 | 0.72 | CYP11B1 (0.41) | NPC1RAB9A | |
| SCHEMBL3610428 | 0.71 | P4HTM (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3610427 | 0.71 | P4HTM (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8175880 | 0.71 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1 |
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-2099753-A2 | HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS | Sanofi-Aventis (FR) | 2009-09-16 | — | — | EP | disclosed |
| EP-1939180-A1 | Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase | sanofi-aventis (FR) | 2008-07-02 | — | — | EP | disclosed |
| WO-2008074413-A2 | HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE | SANOFI-AVENTIS (FR) | 2008-06-26 | — | — | WO | disclosed |