Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9041277 | 0.73 | KCNH2 (0.98) | KCNH2KDM4EPOLBALDH1A1 | |
| SCHEMBL8865110 | 0.71 | SLC6A2 (0.52) | KCNH2SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL8864634 | 0.71 | KCNH2 (0.40) | KCNH2SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL8864617 | 0.69 | KCNH2 (0.52) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL31632627 | 0.62 | PRCP (0.44) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL4975027 | 0.61 | GRM2 (0.47) | SLC6A4 | |
| SCHEMBL5245450 | 0.60 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL29560754 | 0.60 | PRCP (0.65) | MAPT | |
| SCHEMBL21063727 | 0.60 | PRCP (0.65) | MAPT | |
| SCHEMBL21063708 | 0.60 | PRCP (0.65) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5624922-A | Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents | STERLING WINTHROP INC. (US) | 1997-04-29 | — | — | US | disclosed |
| EP-0597540-B1 | Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents | STERLING WINTHROP INC (US) | 1996-06-05 | — | — | EP | disclosed |
| US-5380721-A | Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents | STERLING WINTHROP INC. (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0597540-A1 | Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents | STERLING WINTHROP INC. (US) | 1994-05-18 | — | — | EP | disclosed |