Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11425 | 0.86 | — | — | |
| SCHEMBL29595875 | 0.86 | — | — | |
| Methane SCHEMBL22289605 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Hydrochloric Acid SCHEMBL3851075 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Hydrochloric Acid SCHEMBL7125109 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Fluoride SCHEMBL29165726 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Sulfuric Acid SCHEMBL6705350 | 0.83 | ALDH1A1 (0.74) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Sulfuric Acid SCHEMBL34463729 | 0.83 | ALDH1A1 (0.74) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Formic Acid Methyl Ester SCHEMBL27621281 | 0.82 | ALDH1A1 (0.65) | ALDH1A1KEAP1HDAC1HDAC6CA6 | |
| Formic Acid SCHEMBL27278411 | 0.79 | CES2 (0.48) | ALDH1A1CA6CA5ACA9CA14 |
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-106029666-A | [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as protozoan proteasome inhibitors for the treatment of parasitic diseases such as leishmaniasis | 诺华股份有限公司 | 2016-10-12 | — | — | CN | disclosed |