Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 3/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | NEK2 | P51955 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL998560 | 0.93 | SIGMAR1 (0.52) | SIGMAR1MCL1CA2F2PRSS1 | |
| Sulfamide SCHEMBL3360909 | 0.85 | CA2 (0.61) | SIGMAR1MCL1CA2F2PRSS1 | |
| Acetonitrile SCHEMBL28781304 | 0.85 | CA2 (0.45) | SIGMAR1MCL1CA2F2PRSS1 | |
| SCHEMBL29364795 | 0.84 | SIGMAR1 (0.63) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| SCHEMBL29555314 | 0.84 | SIGMAR1 (0.63) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| SCHEMBL2349 | 0.84 | SIGMAR1 (0.63) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| SCHEMBL27737084 | 0.84 | SIGMAR1 (0.63) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| Hydrogen Sulfide SCHEMBL3359211 | 0.82 | SIGMAR1 (0.61) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL2866027 | 0.82 | SIGMAR1 (0.61) | SIGMAR1MCL1CA2CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL31515359 | 0.82 | SIGMAR1 (0.61) | SIGMAR1MCL1CA2CYP1A2CYP2C19 |
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-0733626-B1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GMBH (DE) | 1999-01-13 | — | — | EP | disclosed |
| EP-0733626-A1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GmbH (DE) | 1996-09-25 | — | — | EP | disclosed |