Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8408660 | 0.84 | HTT (0.33) | — | |
| SCHEMBL8922080 | 0.70 | MEN1 (0.43) | ACHE | |
| SCHEMBL30440069 | 0.65 | CTSB (0.39) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2481913 | 0.65 | CTSB (0.39) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9810709 | 0.64 | CA1 (0.39) | ACHEPTGS1PTGS2CYP1A2 | |
| SCHEMBL4467796 | 0.62 | ACHE (0.34) | ACHEPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8406862 | 0.62 | ACHE (0.31) | ACHEPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL10084011 | 0.61 | PTGS1 (0.41) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8571087 | 0.61 | TSHR (0.32) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL19289984 | 0.61 | EGLN1 (0.41) | — |
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-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 |