Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10489436 | 0.94 | NPC1 (0.53) | KCNH2HRH3NPC1RAB9ACA1 | |
| SCHEMBL11659183 | 0.92 | NPC1 (0.51) | KCNH2HRH3NPC1RAB9ACA1 | |
| SCHEMBL11659189 | 0.92 | NPC1 (0.51) | KCNH2HRH3NPC1RAB9ACA1 | |
| SCHEMBL1630255 | 0.86 | NPC1 (0.57) | KCNH2HRH3NPC1RAB9APDGFRB | |
| SCHEMBL8884493 | 0.85 | CA1 (0.52) | NPC1RAB9ACA1CA2CA7 | |
| SCHEMBL31240857 | 0.82 | PDGFRB (0.46) | KCNH2HRH3NPC1RAB9APDGFRB | |
| SCHEMBL5268060 | 0.80 | NCOA1 (0.47) | NPC1RAB9ACA1CA2CA7 | |
| SCHEMBL18911082 | 0.79 | KCNH2 (0.55) | KCNH2HRH3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22382753 | 0.77 | KCNH2 (0.45) | KCNH2HRH3NPC1RAB9APTGS2 | |
| SCHEMBL8711734 | 0.76 | LTA4H (0.46) | KCNH2HRH3NPC1RAB9ACA1 |
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-0693051-A4 | CYCLOPENTENE DERIVATIVES AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1996-02-28 | — | — | EP | disclosed |
| EP-0693051-A1 | CYCLOPENTENE DERIVATIVES AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-01-24 | — | — | EP | disclosed |