Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29037375 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL8519740 | 0.97 | — | — | |
| SCHEMBL28128768 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL28265566 | 0.94 | ALDH1A1 (0.35) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL28265504 | 0.94 | ALDH1A1 (0.35) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL28178752 | 0.94 | ALDH1A1 (0.35) | ALDH1A1TSHRCA2TDP1 | |
| Sulfuric Acid SCHEMBL28462593 | 0.94 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL27543204 | 0.94 | ALDH1A1 (0.39) | ALDH1A1TSHRCA2TDP1 | |
| SCHEMBL114521 | 0.94 | — | — | |
| SCHEMBL11719475 | 0.91 | — | — |
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-105448536-B | Nickel oxide/TiOx nano composite material and preparation method thereof and stored energy application | 合肥工业大学 | 2018-05-25 | — | — | CN | claimed |