Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | TPH1 | P17752 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5232350 | 0.94 | F2 (0.36) | GRB2OPRD1OPRK1F2 | |
| Trifluoroacetic Acid SCHEMBL5151176 | 0.80 | GRB2 (0.42) | GRB2PTPN1HDAC3HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL5150811 | 0.80 | GRB2 (0.44) | GRB2PTPN1HDAC1HDAC8HDAC6 | |
| Trifluoroacetic Acid SCHEMBL5151181 | 0.79 | GRB2 (0.39) | GRB2PTPN1OPRM1OPRK1F2 | |
| Trifluoroacetic Acid SCHEMBL5155526 | 0.78 | GRB2 (0.42) | GRB2PTPN1HDAC8HDAC6OPRM1 | |
| Trifluoroacetic Acid SCHEMBL5151636 | 0.73 | HRH3 (0.44) | GRB2PTPN1HTR5AF2 | |
| SCHEMBL5232357 | 0.73 | HPGD (0.38) | GRB2OPRM1F2 | |
| Trifluoroacetic Acid SCHEMBL2494748 | 0.72 | ALPI (0.54) | GRB2PTPN1HDAC8OPRK1 | |
| Trifluoroacetic Acid SCHEMBL5148861 | 0.72 | KCNH2 (0.41) | OPRD1 | |
| SCHEMBL5232367 | 0.71 | OPRM1 (0.37) | OPRM1OPRK1F2 |
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 |