Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22824024 | 0.85 | FFAR1 (0.46) | FFAR1S1PR1GABRG2GABRB3GABRA5 | |
| SCHEMBL19715854 | 0.80 | ENPP2 (0.40) | S1PR1GLATNFCNR1ENPP2 | |
| SCHEMBL4237290 | 0.78 | CYP2A6 (0.47) | — | |
| SCHEMBL12488294 | 0.77 | S1PR1 (0.45) | FFAR1S1PR1GLATNFCNR1 | |
| SCHEMBL8233976 | 0.76 | S1PR1 (0.42) | FFAR1S1PR1GLACNR1DRD2 | |
| SCHEMBL825570 | 0.75 | HDAC4 (0.49) | S1PR1GLACNR1CNR2 | |
| SCHEMBL1043636 | 0.74 | PDCD1 (0.51) | FFAR1S1PR1PDCD1CD274TNF | |
| SCHEMBL7926083 | 0.74 | AOC3 (0.44) | FFAR1 | |
| SCHEMBL9646909 | 0.74 | LMNA (0.52) | FFAR1S1PR1GLATNFCNR1 | |
| SCHEMBL6420556 | 0.74 | S1PR1 (0.43) | FFAR1S1PR1GLATNFCNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968177-B1 | METHOD FOR PRODUCING AROMATIC NITRILES | BAYER AG (DE) | 2002-01-23 | — | — | EP | disclosed |
| US-6162942-A | Method for producing aromatic nitriles | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-19 | — | — | US | disclosed |
| EP-0968177-A1 | METHOD FOR PRODUCING AROMATIC NITRILES | Bayer Aktiengesellschaft (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037058-A1 | METHOD FOR PRODUCING AROMATIC NITRILES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-08-27 | — | — | WO | disclosed |