Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 4/20 | 0.41 |
| ▸ | MME | P08473 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004057 | 1.00 | XIAP (0.48) | XIAPGAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1996572 | 0.90 | XIAP (0.44) | XIAPGAAALDH1A1GSK3BACE | |
| SCHEMBL1996571 | 0.90 | XIAP (0.44) | XIAPGAAALDH1A1GSK3BACE | |
| SCHEMBL1999442 | 0.83 | RIPK1 (0.42) | XIAPALDH1A1ACEMMEKMT2A | |
| SCHEMBL1999440 | 0.83 | RIPK1 (0.42) | XIAPALDH1A1ACEMMEKMT2A | |
| SCHEMBL12569074 | 0.74 | XIAP (0.57) | XIAPACEMMEKMT2A | |
| SCHEMBL3149798 | 0.74 | GSK3B (0.50) | XIAPALDH1A1GSK3BACEMME | |
| SCHEMBL3156873 | 0.74 | XIAP (0.62) | XIAPGSK3BACEMME | |
| SCHEMBL3156878 | 0.74 | XIAP (0.62) | XIAPGSK3BACEMME | |
| SCHEMBL15564775 | 0.72 | XIAP (0.64) | XIAPCYP3A4ACEMME |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960373-B2 | 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof | SANOFI-AVENTIS (FR) | 2011-06-14 | — | — | US | disclosed |