Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5151770 | 0.99 | ACACB (0.48) | ACACBALDH1A1KDM4EHRH3OPRM1 | |
| SCHEMBL5234435 | 0.86 | HRH3 (0.45) | ACACBALDH1A1KDM4EHRH3 | |
| Trifluoroacetic Acid SCHEMBL5148861 | 0.81 | KCNH2 (0.41) | ALDH1A1KDM4EHRH3 | |
| SCHEMBL27537681 | 0.79 | CHRM2 (0.41) | ALDH1A1KDM4EHRH3OPRM1OPRK1 | |
| SCHEMBL31754288 | 0.78 | SLC7A5 (0.57) | ACACBALDH1A1KDM4EHRH3OPRM1 | |
| SCHEMBL5228935 | 0.77 | HRH3 (0.54) | ACACBALDH1A1KDM4EHRH3HRH4 | |
| SCHEMBL13499186 | 0.77 | HRH3 (0.54) | ACACBALDH1A1KDM4EHRH3HRH4 | |
| Hydrochloric Acid SCHEMBL5151486 | 0.76 | HRH3 (0.52) | ACACBALDH1A1KDM4EHRH3HRH4 | |
| SCHEMBL5155400 | 0.76 | OPRK1 (0.47) | ACACBOPRM1OPRK1 | |
| SCHEMBL5234301 | 0.75 | HDAC1 (0.48) | ALDH1A1KDM4EOPRM1 |
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-1373233-B1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2007-09-05 | — | — | EP | disclosed |
| EP-1373233-A1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Sanofi-Aventis (FR) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002076964-A1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-10-03 | — | — | WO | disclosed |