Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 6/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551756 | 0.93 | CLK1 (0.45) | NPC1CLK1RAB9AERN1KDM4E | |
| SCHEMBL8546890 | 0.88 | EDNRB (0.44) | NPC1CLK1RAB9AERN1KDM4E | |
| SCHEMBL8552363 | 0.87 | NPC1 (0.41) | NPC1CLK1RAB9AERN1KDM4E | |
| SCHEMBL8552291 | 0.86 | CLK1 (0.40) | NPC1CLK1RAB9AERN1KDM4E | |
| SCHEMBL8549519 | 0.83 | KDM4E (0.38) | KDM4EALDH1A1GAAHPGDNPSR1 | |
| SCHEMBL8552118 | 0.81 | NPC1 (0.42) | NPC1CLK1RAB9AKDM4EMEN1 | |
| SCHEMBL8552505 | 0.80 | CLK1 (0.44) | NPC1CLK1RAB9AKDM4EMEN1 | |
| SCHEMBL8546850 | 0.79 | KDM4E (0.52) | NPC1ERN1KDM4EMEN1CYP1A2 | |
| SCHEMBL8547598 | 0.75 | NPC1 (0.40) | NPC1CLK1RAB9AKDM4EHSD17B10 | |
| SCHEMBL8553266 | 0.75 | EDNRB (0.56) | KDM4EMEN1CYP1A2CYP3A4KMT2A |
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-0863898-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019077-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-05-29 | — | — | WO | disclosed |