Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371339 | 0.79 | GABRA1 (0.40) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 | |
| SCHEMBL1977209 | 0.78 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 | |
| SCHEMBL1371457 | 0.76 | NQO2 (0.33) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL8316847 | 0.76 | PNMT (0.38) | CYP1A2CYP2C19HTR2A | |
| SCHEMBL8318133 | 0.75 | IFNAR1 (0.41) | LMNAMAPK1KDM4EMEN1KMT2A | |
| SCHEMBL820553 | 0.75 | CYP2D6 (0.77) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 | |
| SCHEMBL31316173 | 0.75 | CYP2D6 (0.77) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 | |
| SCHEMBL1371874 | 0.74 | BCHE (0.36) | KCNH2 | |
| Hydrochloric Acid SCHEMBL2278072 | 0.73 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL146079 | 0.73 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733626-B1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GMBH (DE) | 1999-01-13 | — | — | EP | disclosed |
| US-5726194-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-10 | — | — | US | disclosed |
| EP-0733626-A1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GmbH (DE) | 1996-09-25 | — | — | EP | disclosed |