Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5150811 | 0.92 | GRB2 (0.44) | HDAC1HDAC8HDAC6HPGDSLC7A5 | |
| SCHEMBL5154437 | 0.85 | HDAC8 (0.43) | HDAC8HDAC6HPGDSLC7A5MC4R | |
| SCHEMBL5232357 | 0.84 | HPGD (0.38) | HPGDSLC7A5MC4RMC5RMC3R | |
| SCHEMBL5237432 | 0.80 | HRH3 (0.50) | HPGDMC4RMC5RMC3RF2 | |
| Trifluoroacetic Acid SCHEMBL5155526 | 0.79 | GRB2 (0.42) | HDAC8HDAC6HPGDSLC7A5MC4R | |
| Trifluoroacetic Acid SCHEMBL5151176 | 0.79 | GRB2 (0.42) | HDAC1HDAC8HDAC6HPGDSLC7A5 | |
| SCHEMBL5154261 | 0.78 | HDAC1 (0.47) | HDAC1HDAC8HDAC6SLC7A5PTGS1 | |
| SCHEMBL5232350 | 0.75 | F2 (0.36) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL5236489 | 0.75 | ACACB (0.49) | ALDH1A1OPRM1KDM4E | |
| Trifluoroacetic Acid SCHEMBL5151636 | 0.74 | HRH3 (0.44) | HPGDMC4RMC5RMC3RF2 |
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 |