Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8807658 | 0.89 | AR (0.42) | NPC1RAB9AMAOB | |
| SCHEMBL8807390 | 0.86 | NPC1 (0.40) | NPC1RAB9APDCD1CD274 | |
| SCHEMBL8810263 | 0.83 | MRGPRX4 (0.43) | MRGPRX4 | |
| SCHEMBL8808914 | 0.83 | MRGPRX4 (0.45) | MRGPRX4MAOB | |
| SCHEMBL8810159 | 0.82 | MEN1 (0.44) | MRGPRX4PDCD1CD274 | |
| SCHEMBL8808400 | 0.82 | FFAR1 (0.44) | MRGPRX4 | |
| SCHEMBL8807660 | 0.81 | — | — | |
| SCHEMBL8134702 | 0.79 | NPC1 (0.56) | NPC1RAB9AMAOB | |
| SCHEMBL8808740 | 0.79 | NPC1 (0.47) | NPC1RAB9AMAOB | |
| SCHEMBL8807149 | 0.78 | NPC1 (0.48) | NPC1RAB9AMRGPRX4 |
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-0805802-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE-POULENC RORER LIMITED (GB) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022978-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE POULENC RORER LIMITED (GB) | 1996-08-01 | — | — | WO | disclosed |