Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.54 |
| ▸ | RAB9A | P51151 | 11/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | HPGD | P15428 | 9/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10969002 | 0.72 | NPC1 (0.61) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL6624611 | 0.72 | RAB9A (0.59) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL1852694 | 0.72 | NPC1 (0.59) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL2516355 | 0.72 | NPC1 (0.59) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL4142795 | 0.71 | FAAH (0.40) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL18683199 | 0.69 | NPC1 (0.52) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL29011084 | 0.68 | RAB9A (0.63) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL31595809 | 0.68 | F7 (0.37) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL18910899 | 0.68 | RAB9A (0.56) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL18470454 | 0.68 | KDM4E (0.54) | NPC1RAB9AKDM4EALDH1A1HPGD |
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-115850241-A | Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof | 中国药科大学 | 2023-03-28 | — | — | CN | disclosed |