Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28161473 | 0.87 | MAP4K4 (0.46) | MAP4K4CYP1A2KCNH2MINK1TNIK | |
| Butyl Alcohol SCHEMBL28141388 | 0.79 | RAB9A (0.44) | NPC1MAPK1L3MBTL1ADRA2AADRA2B | |
| SCHEMBL77304 | 0.79 | — | — | |
| Methylene Chloride SCHEMBL18894823 | 0.77 | LTA4H (0.48) | L3MBTL1MAP4K4CYP1A2KCNH2MINK1 | |
| Acetic Acid SCHEMBL7838974 | 0.74 | GABRP (0.52) | NPC1L3MBTL1MAP4K4CYP1A2KCNH2 | |
| Chlorobenzene SCHEMBL8020577 | 0.67 | ALDH1A1 (0.50) | CYP1A2TSHRSMN1; SMN2HSD17B10ALDH1A1 | |
| Butyl Alcohol SCHEMBL27771107 | 0.67 | — | — | |
| Butyl Alcohol SCHEMBL23631737 | 0.67 | TP53 (0.56) | L3MBTL1TSHRSMN1; SMN2HSD17B10ALDH1A1 | |
| SCHEMBL6178745 | 0.67 | GABRP (0.52) | L3MBTL1CYP1A2TSHRLTA4HNOS3 | |
| SCHEMBL4154226 | 0.67 | NFKB1 (0.54) | NPC1MAPK1L3MBTL1CYP1A2TSHR |
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-105017253-B | Condensed nucleus tetramisole [1,2-a] pyridine compound and preparation method and application thereof | 广东华南新药创制中心 | 2017-04-19 | — | — | CN | disclosed |