Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 4/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 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 | |
|---|---|---|---|---|
| SCHEMBL28927186 | 1.00 | FFAR1 (0.41) | FFAR1PDGFRBPDGFRAEGFRGRM4 | |
| SCHEMBL28927139 | 0.84 | GRM4 (0.41) | PDGFRBPDGFRAEGFRGRM4TSHR | |
| SCHEMBL30107565 | 0.75 | ALDH1A1 (0.41) | TSHRPLAU | |
| SCHEMBL29197262 | 0.72 | S1PR4 (0.41) | TSHRPOLBL3MBTL1PLAU | |
| SCHEMBL25430519 | 0.71 | FFAR1 (0.46) | FFAR1VCPGRM5L3MBTL1KCNH2 | |
| SCHEMBL30107573 | 0.71 | MAPT (0.43) | FFAR1GRM4GRM5PLAUADK | |
| SCHEMBL17714326 | 0.71 | ADK (0.44) | FFAR1GRM4GRM5PLAUADK | |
| SCHEMBL24047399 | 0.71 | MAPT (0.43) | FFAR1GRM4GRM5PLAUADK | |
| SCHEMBL14976213 | 0.71 | FFAR1 (0.42) | FFAR1GRM4GRM5PLAUADK | |
| SCHEMBL14232324 | 0.70 | CHRNB2 (0.58) | FFAR1ACACB |
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-4153577-A1 | NEW MALONITRILE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | disclosed |
| CN-115551837-A | Novel malononitrile derivatives | 豪夫迈·罗氏有限公司 | 2022-12-30 | — | — | CN | disclosed |