Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 2/20 | 0.56 |
| ▸ | KIF11 | P52732 | 9/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL10112758 | 1.00 | CA4 (0.59) | CA4LTA4HKIF11KCNH2CA12 | |
| SCHEMBL12276567 | 0.92 | ACHE (0.60) | CA4LTA4HKIF11KCNH2CA12 | |
| SCHEMBL12227837 | 0.90 | CA1 (0.65) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL23626098 | 0.90 | ESR2 (0.55) | CA4LTA4HKIF11KCNH2MAPT | |
| SCHEMBL10762267 | 0.88 | CES2 (0.52) | CA4LTA4HKIF11KCNH2CA1 | |
| SCHEMBL719395 | 0.87 | CES2 (0.55) | CA4LTA4HKIF11KCNH2CA1 | |
| SCHEMBL8823207 | 0.87 | CES2 (0.55) | CA4LTA4HKIF11KCNH2CA1 | |
| SCHEMBL2761265 | 0.87 | CES2 (0.55) | CA4LTA4HKIF11KCNH2CA1 | |
| SCHEMBL6682499 | 0.87 | CES2 (0.55) | CA4LTA4HKIF11KCNH2CA1 | |
| SCHEMBL14856629 | 0.87 | CES2 (0.55) | CA4LTA4HKIF11KCNH2CA1 |
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-103772276-B | 2-[6-methoxyl group-3-(2,3-dichlorophenyl) methyl-4-oxo-Isosorbide-5-Nitrae-dihydro-1 (4H)-quinolyl] preparation method of acetic acid | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2016-05-11 | — | — | CN | disclosed |