Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | FAP | Q12884 | 2/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
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 SCHEMBL5151020 | 0.99 | GRB2 (0.40) | GRB2PTPN1SLC7A5SRD5A1COPS5 | |
| SCHEMBL5155242 | 0.77 | GRB2 (0.42) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| SCHEMBL5228703 | 0.77 | HDAC8 (0.44) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL5151023 | 0.76 | HDAC8 (0.43) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL5239296 | 0.74 | DPP4 (0.48) | DPP4FAPDPP8DPP9DPP7 | |
| Hydrochloric Acid SCHEMBL5151310 | 0.73 | DPP4 (0.47) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL5150701 | 0.67 | GRB2 (0.40) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| SCHEMBL20273007 | 0.67 | ESR1 (0.40) | CYP1A2MEN1MAPTKMT2A | |
| SCHEMBL23279485 | 0.66 | GRB2 (0.60) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| SCHEMBL16171989 | 0.66 | SLC1A3 (0.35) | SLC7A5TP53DPP4FAPDPP8 |
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 |