Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | GRB2 | P62993 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234881 | 0.87 | HRH3 (0.53) | HDAC8HDAC6CYP1A2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5149113 | 0.84 | CYP3A4 (0.40) | CYP1A2CYP2C19CAPN1ACVR1SLC2A1 | |
| Trifluoroacetic Acid SCHEMBL5155526 | 0.78 | GRB2 (0.42) | HDAC8HDAC6HRH3GRB2CAPN1 | |
| SCHEMBL5155245 | 0.70 | HDAC8 (0.45) | HDAC8HDAC6HRH3CAPN1CTSB | |
| SCHEMBL5231163 | 0.69 | CHRNB2 (0.42) | CYP1A2CYP2D6CYP2C19HRH3OPRD1 | |
| SCHEMBL6656971 | 0.69 | HRH3 (0.55) | HDAC8HDAC6HRH3OPRD1 | |
| SCHEMBL5228703 | 0.69 | HDAC8 (0.44) | HDAC8HDAC6HRH3CAPN1CTSB | |
| SCHEMBL15270855 | 0.68 | HRH3 (0.59) | HDAC8HDAC6HRH3OPRD1 | |
| SCHEMBL5154437 | 0.68 | HDAC8 (0.43) | HDAC8HDAC6HRH3CAPN1CTSB | |
| Hydrochloric Acid SCHEMBL5151023 | 0.68 | HDAC8 (0.43) | HDAC8HDAC6HRH3CAPN1CTSB |
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 |