Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 19/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4150883 | 0.81 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL4153004 | 0.78 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL29462688 | 0.78 | GRM5 (1.00) | GRM5 | |
| SCHEMBL4152997 | 0.78 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL4145662 | 0.78 | GRM5 (1.00) | GRM5 | |
| SCHEMBL4153877 | 0.78 | GRM5 (1.00) | GRM5 | |
| SCHEMBL5653485 | 0.77 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL10633500 | 0.76 | FFAR1 (0.58) | — | |
| SCHEMBL4150915 | 0.76 | GRM5 (1.00) | GRM5 | |
| SCHEMBL4157102 | 0.76 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3284738-B1 | 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-11-25 | — | — | EP | claimed |
| CN-107531633-B | 5-aromatic alkynyl substituted benzamide compound and preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2020-11-06 | — | — | CN | disclosed |