Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CBFB | Q13951 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL510167 | 1.00 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19CYP4F2 | |
| SCHEMBL10055039 | 0.90 | NPC1 (0.68) | NPC1ALDH1A1CYP2D6CYP2C19LTA4H | |
| SCHEMBL223680 | 0.84 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19TSHR | |
| SCHEMBL29816629 | 0.84 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19TSHR | |
| SCHEMBL6130101 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19LTA4H | |
| SCHEMBL510400 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19LMNA | |
| SCHEMBL31473741 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19LMNA | |
| SCHEMBL21054861 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19TSHR | |
| SCHEMBL18429765 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL31159974 | 0.81 | NPC1 (0.68) | NPC1ALDH1A1CYP2D6CYP2C19TSHR |
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-111698989-B | Heterocyclic substituted pyridine derivatives as antifungal agents | 安普利克斯制药公司 | 2023-08-01 | — | — | CN | disclosed |