Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 2/20 | 0.37 |
| ▸ | MC5R | P33032 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 SCHEMBL5151176 | 0.94 | GRB2 (0.42) | HPGDMC4RMC5RMC3RSLC7A5 | |
| SCHEMBL5234301 | 0.84 | HDAC1 (0.48) | HPGDMC4RMC5RMC3RSLC7A5 | |
| SCHEMBL5154437 | 0.82 | HDAC8 (0.43) | HPGDMC4RMC5RMC3RSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL5150811 | 0.80 | GRB2 (0.44) | HPGDMC4RMC5RMC3RSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL5155526 | 0.78 | GRB2 (0.42) | HPGDMC4RMC5RMC3RSLC7A5 | |
| SCHEMBL5232350 | 0.77 | F2 (0.36) | SLC7A5PTGS1F2ALPIPKM | |
| SCHEMBL5237432 | 0.76 | HRH3 (0.50) | HPGDMC4RMC5RMC3RF2 | |
| SCHEMBL5232367 | 0.76 | OPRM1 (0.37) | SLC7A5OPRM1F2ALOX5FAAH | |
| Trifluoroacetic Acid SCHEMBL5151636 | 0.74 | HRH3 (0.44) | HPGDMC4RMC5RMC3RF2 | |
| Trifluoroacetic Acid SCHEMBL5151174 | 0.73 | GRB2 (0.40) | OPRM1F2GRB2 |
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 |