Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28846485 | 0.75 | NPC1 (0.44) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL8745391 | 0.73 | NPC1 (0.46) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL8745393 | 0.73 | NPC1 (0.46) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL8745444 | 0.73 | NPC1 (0.46) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL30867007 | 0.73 | POLB (0.38) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL30867011 | 0.72 | NPC1 (0.46) | NPC1POLBGAAMAPK1NPSR1 | |
| SCHEMBL12959086 | 0.71 | NPC1 (0.53) | NPC1MAPK1CHRNB2CHRNA5CHRNA7 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 | 0.71 | NPC1 (0.56) | NPC1MAPK1CHRNB2CHRNA5CHRNA7 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 | 0.71 | NPC1 (0.56) | NPC1MAPK1CHRNB2CHRNA5CHRNA7 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 | 0.71 | NPC1 (0.56) | NPC1MAPK1CHRNB2CHRNA5CHRNA7 |
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-117858711-A | Nucleoside and nucleotide analogs as antiviral agents | 爱莫里大学 | 2024-04-09 | — | — | CN | disclosed |