Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 8/20 | 0.52 |
| ▸ | CCKBR | P32239 | 10/20 | 0.50 |
| ▸ | CCKAR | P32238 | 5/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9266788 | 0.82 | SCN9A (0.44) | SCN9ACCKBRCCKARNFKB1NFKB2 | |
| SCHEMBL6299832 | 0.82 | SCN9A (0.54) | SCN9ACCKBRCCKAR | |
| SCHEMBL6302389 | 0.78 | CCKBR (0.51) | CCKBRCCKARGABRPGABRDGABRA1 | |
| SCHEMBL9038949 | 0.76 | CCKBR (0.51) | CCKBR | |
| SCHEMBL9039394 | 0.76 | CCKBR (0.66) | CCKBR | |
| SCHEMBL9039642 | 0.75 | CCKBR (0.68) | CCKBR | |
| SCHEMBL19224503 | 0.75 | NFKB1 (0.51) | SCN9ACCKBRCCKARNFKB1NFKB2 | |
| SCHEMBL7819630 | 0.75 | SCN9A (0.47) | SCN9ACCKBRCCKAR | |
| SCHEMBL19207684 | 0.75 | NFKB1 (0.51) | SCN9ACCKBRCCKARNFKB1NFKB2 | |
| SCHEMBL19207822 | 0.75 | SCN9A (0.47) | SCN9ACCKBRCCKAR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730581-B1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5696111-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | disclosed |
| EP-0730581-A4 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 1997-02-05 | — | — | EP | disclosed |
| EP-0730581-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014671-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |