Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | YWHAG | P61981 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3681824 | 0.85 | NPC1 (0.66) | NPC1PARP1HTTTSHRKMT2A | |
| SCHEMBL9283302 | 0.85 | HTR2C (0.50) | NPC1PARP1PARP2 | |
| SCHEMBL19667085 | 0.84 | NPC1 (0.47) | NPC1PARP1HTTKMT2AKDM4E | |
| SCHEMBL3682185 | 0.84 | NPC1 (0.62) | NPC1PARP1HTTTSHRKMT2A | |
| SCHEMBL28179773 | 0.82 | CRHBP (0.45) | HTTTSHRKMT2AKDM4EMEN1 | |
| SCHEMBL5092225 | 0.81 | NPC1 (0.57) | NPC1PARP1HTTKMT2AKDM4E | |
| SCHEMBL23632367 | 0.81 | NPC1 (0.50) | NPC1PARP1TSHRKMT2AKDM4E | |
| SCHEMBL19667037 | 0.81 | NPC1 (0.43) | NPC1PARP1HTTKMT2AKDM4E | |
| SCHEMBL7882802 | 0.81 | NPC1 (0.45) | NPC1PARP1HTTTSHRKMT2A | |
| SCHEMBL6946366 | 0.80 | NPC1 (0.58) | NPC1PARP1HTTTSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105541777-A | Isoflavone amide type derivative, preparation method and medical application thereof | UNIV CHINA PHARMA | 2016-05-04 | — | — | CN | disclosed |