Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 20/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933770 | 0.93 | GPBAR1 (0.58) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933994 | 0.93 | GPBAR1 (0.58) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933768 | 0.91 | GPBAR1 (0.56) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933996 | 0.91 | GPBAR1 (0.59) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933999 | 0.89 | GPBAR1 (0.54) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933992 | 0.88 | GPBAR1 (0.59) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL15933794 | 0.87 | GPBAR1 (0.67) | GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL15933997 | 0.84 | GPBAR1 (0.64) | GPBAR1 | |
| SCHEMBL28047087 | 0.82 | GPBAR1 (0.48) | GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL15933964 | 0.82 | GPBAR1 (0.53) | GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164112-A | Amide compound and preparation method, pharmaceutical composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2015-12-16 | — | — | CN | disclosed |
| WO-2014117292-A1 | AMIDE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |