Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 10/20 | 0.64 |
| ▸ | EDNRB | P24530 | 9/20 | 0.64 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8903655 | 0.92 | EDNRA (0.61) | EDNRAEDNRBAGTR1SMN1; SMN2TSHR | |
| SCHEMBL7332065 | 0.91 | EDNRA (0.63) | EDNRAEDNRBAGTR1MEN1OPRM1 | |
| SCHEMBL8904132 | 0.89 | EDNRA (0.78) | EDNRAEDNRBAGTR1AGTR2 | |
| SCHEMBL8906310 | 0.86 | EDNRA (0.49) | EDNRAEDNRBAGTR1AGTR2 | |
| SCHEMBL8788478 | 0.85 | EDNRA (0.59) | EDNRAEDNRBAGTR1MEN1OPRM1 | |
| SCHEMBL7341468 | 0.84 | EDNRA (0.58) | EDNRAEDNRBAGTR1MEN1KMT2A | |
| SCHEMBL7338422 | 0.83 | EDNRA (0.60) | EDNRAEDNRBAGTR1MEN1KMT2A | |
| SCHEMBL8124977 | 0.82 | EDNRA (0.81) | EDNRAEDNRBAGTR1AGTR2 | |
| SCHEMBL7336213 | 0.81 | EDNRA (0.57) | EDNRAEDNRBAGTR1MEN1KMT2A | |
| SCHEMBL7334516 | 0.80 | EDNRA (0.58) | EDNRAEDNRBAGTR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5668176-A | ENDOTHELIN ANTAGONIST | MERCK & CO. INC. (US) | 1997-09-16 | — | — | US | disclosed |
| US-5565485-A | TREATING CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| WO-1996009818-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |