Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552118 | 0.94 | NPC1 (0.42) | CLK1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8551756 | 0.84 | CLK1 (0.45) | CLK1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8547598 | 0.84 | NPC1 (0.40) | CLK1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8553338 | 0.80 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL8547384 | 0.80 | EDNRB (0.54) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL8546754 | 0.80 | NPC1 (0.40) | CLK1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL8552363 | 0.79 | NPC1 (0.41) | CLK1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL8546890 | 0.79 | EDNRB (0.44) | CLK1NPC1RAB9AKDM4EHSD17B10 | |
| SCHEMBL8552291 | 0.78 | CLK1 (0.40) | CLK1NPC1RAB9AKDM4EHSD17B10 | |
| SCHEMBL8549511 | 0.77 | KDM4E (0.40) | NPC1RAB9AALDH1A1MAPTKDM4E |
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 |