Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.37 |
| ▸ | MC5R | P33032 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234301 | 0.92 | HDAC1 (0.48) | HDAC1HDAC8HDAC6HPGDMC4R | |
| Trifluoroacetic Acid SCHEMBL5151176 | 0.88 | GRB2 (0.42) | GRB2HDAC1HDAC8HDAC6PTPN1 | |
| Trifluoroacetic Acid SCHEMBL5155526 | 0.88 | GRB2 (0.42) | GRB2HDAC8HDAC6PTPN1HPGD | |
| Trifluoroacetic Acid SCHEMBL5151636 | 0.83 | HRH3 (0.44) | GRB2PTPN1HPGDMC4RMC5R | |
| SCHEMBL5232357 | 0.80 | HPGD (0.38) | GRB2HPGDMC4RMC5RMC3R | |
| Trifluoroacetic Acid SCHEMBL5151174 | 0.80 | GRB2 (0.40) | GRB2HDAC1HDAC8HDAC6PTPN1 | |
| Trifluoroacetic Acid SCHEMBL5151181 | 0.79 | GRB2 (0.39) | GRB2PTPN1SLC7A5OPRM1OPRK1 | |
| SCHEMBL5154437 | 0.79 | HDAC8 (0.43) | HDAC8HDAC6HPGDMC4RMC5R | |
| Trifluoroacetic Acid SCHEMBL5148861 | 0.76 | KCNH2 (0.41) | OPRD1DPP4ALDH1A1ACHEKCNH2 | |
| Trifluoroacetic Acid SCHEMBL14762650 | 0.76 | HPGD (0.60) | GRB2HDAC1HDAC6HPGDMC4R |
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 |
|---|---|---|---|---|---|---|---|
| US-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | disclosed |
| US-20040116353-A1 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI (FR) | 2004-06-17 | — | — | US | disclosed |