Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.63 |
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | BCHE | P06276 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29942654 | 1.00 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL29966674 | 1.00 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL3076524 | 1.00 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL28395491 | 0.87 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL4954320 | 0.87 | NPC1 (0.81) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL3686490 | 0.87 | KDM4E (0.58) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL30161801 | 0.87 | KDM4E (0.58) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL28473904 | 0.87 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL29371290 | 0.85 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL87505 | 0.85 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2BCHEKDM4E |
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-113328092-B | Aqueous holozine secondary battery based on oxazine compounds with multiple oxidation states | 常州大学 | 2022-04-26 | — | — | CN | disclosed |