Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.53 |
| ▸ | EDNRB | P24530 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6772781 | 0.84 | EDNRA (0.53) | EDNRAEDNRBOPRM1OPRK1KCNH2 | |
| SCHEMBL6777874 | 0.84 | EDNRA (0.53) | EDNRAEDNRBOPRM1OPRK1KCNH2 | |
| SCHEMBL9572126 | 0.83 | EDNRA (0.52) | EDNRAEDNRBOPRM1OPRK1KCNH2 | |
| SCHEMBL3097730 | 0.82 | CA2 (0.41) | EDNRAEDNRBSCN9APTGES2CA12 | |
| SCHEMBL8350056 | 0.81 | CA1 (0.54) | SCN9APTGES2CA12CA1CA2 | |
| SCHEMBL7112362 | 0.80 | F10 (0.51) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL22588242 | 0.80 | SCN9A (0.53) | SCN9APTGES2CA12CA1CA2 | |
| SCHEMBL6771873 | 0.80 | EDNRA (0.58) | EDNRAEDNRBOPRM1OPRK1KCNH2 | |
| SCHEMBL6771771 | 0.80 | EDNRA (0.52) | EDNRAEDNRBOPRM1OPRK1KCNH2 | |
| Hydrochloric Acid SCHEMBL6066493 | 0.79 | CA1 (0.52) | SCN9ACA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6673824-B1 | HYPOTENSIVE AGENTS | BRISTOL-MYERS SQUIBB CO. | 2004-01-06 | — | — | US | disclosed |
| US-6107320-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 2000-08-22 | — | — | US | disclosed |
| US-5965732-A | Sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 1999-10-12 | — | — | US | disclosed |
| US-5514696-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0640596-A1 | N-pyridazinyl-benzene (naphthalene-, biphenyl-) sulfonamide derivatives, their preparation and their use as endothelin antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |