Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | YWHAG | P61981 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7884834 | 0.99 | NPC1 (0.44) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL28046983 | 0.81 | NPC1 (0.54) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL7882806 | 0.78 | NPC1 (0.51) | NPC1HTTMEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL7884838 | 0.77 | NPC1 (0.50) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL474502 | 0.75 | NPC1 (0.44) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL8642344 | 0.74 | ALDH1A1 (0.41) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL2371725 | 0.72 | MAPT (0.40) | NPC1HTTMEN1KMT2AMAPT | |
| SCHEMBL2161703 | 0.71 | PARP1 (0.36) | NPC1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL3681824 | 0.71 | NPC1 (0.66) | NPC1HTTMEN1KMT2AKDM4E | |
| SCHEMBL9544174 | 0.70 | ALDH1A1 (0.47) | NPC1HTTMEN1KMT2AKDM4E |
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-RE37029-E1 | ANTIPSYCHOTIC AND ANALGESIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2001-01-23 | — | — | US | disclosed |