Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GUSB | P08236 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.49 |
| ▸ | DNMT3A | Q9Y6K1 | 3/20 | 0.49 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.49 |
| ▸ | DNMT3L | Q9UJW3 | 2/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5351489 | 0.94 | NPC1 (0.60) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL4633366 | 0.85 | NPC1 (0.67) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL5348902 | 0.83 | NPC1 (0.64) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL5351482 | 0.81 | NPC1 (0.60) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL13692602 | 0.80 | NPC1 (0.97) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL4664500 | 0.79 | NPC1 (0.54) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL4828232 | 0.79 | NPC1 (0.67) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL5356424 | 0.78 | NPC1 (0.52) | NPC1MAPTGUSBHTTKDM4E | |
| SCHEMBL4632922 | 0.78 | NPC1 (0.76) | NPC1MAPTGUSBHTTTSHR | |
| SCHEMBL4632753 | 0.78 | NPC1 (0.62) | NPC1MAPTGUSBHTTTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7265122-B2 | Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2007-09-04 | — | — | US | disclosed |