Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 15/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16592141 | 0.80 | CYP2D6 (0.60) | CYP1A2CYP2A6CASRCYP2D6SLC6A2 | |
| SCHEMBL165251 | 0.79 | LMNA (0.59) | CYP1A2CYP2D6SLC6A2 | |
| SCHEMBL4609311 | 0.76 | ACACB (0.51) | CYP1A2CYP2A6CASRCYP2D6SLC6A2 | |
| SCHEMBL16589312 | 0.75 | CASR (0.53) | CASR | |
| SCHEMBL2260409 | 0.75 | TAAR1 (0.41) | CYP2D6 | |
| SCHEMBL564639 | 0.75 | RIPK1 (0.39) | CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL19341333 | 0.75 | CYP2A6 (0.59) | CYP1A2CYP2A6CASRMC4RMC5R | |
| SCHEMBL8824562 | 0.73 | CASR (0.46) | CYP2A6CASR | |
| Ammonia Solution, Strong SCHEMBL27962083 | 0.73 | CYP2A6 (0.57) | CYP1A2CYP2A6CASRMC4RMC5R | |
| SCHEMBL564806 | 0.73 | HDAC3 (0.39) | SLC6A2SLC6A4SLC6A3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1288203-B1 | Cyclic nitrones and pharmaceutical compositions containing them | AVENTIS PHARMA INC (US) | 2005-04-20 | — | — | EP | disclosed |
| EP-1288203-A1 | Cyclic nitrones and pharmaceutical compositions containing them | Aventis Pharmaceuticals Inc. (US) | 2003-03-05 | — | — | EP | disclosed |
| US-5962469-A | PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS | HOECHST MARION ROUSSEL INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0863878-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997010218-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-20 | — | — | WO | disclosed |