Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trolnitrate SCHEMBL28100485 | 0.81 | ALDH1A1 (0.33) | ALDH1A1KDM4ECA12CA1CA2 | |
| Trolnitrate SCHEMBL362506 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA4 | |
| Tenitramine SCHEMBL28086508 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA4 | |
| Tenitramine SCHEMBL29373173 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA4 | |
| Trolnitrate SCHEMBL27869649 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CA12CA1CA2CA4 | |
| Trolnitrate SCHEMBL4604021 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| Trolnitrate SCHEMBL6390411 | 0.75 | ALDH1A1 (0.34) | ALDH1A1KMT2A | |
| Trolnitrate SCHEMBL286264 | 0.75 | ALDH1A1 (0.34) | ALDH1A1KMT2A | |
| Trolnitrate SCHEMBL9249444 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL17311175 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110013444-A | Bicontinuous microemulsion shape liquid composition and cosmetics | 信越化学工业株式会社 | 2019-07-16 | — | — | CN | disclosed |
| CN-109652038-A | A kind of anti-collapse slurries of tunnelling | 上海城建市政工程（集团）有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-104736134-B | Water-in-oil emulsified cosmetic | 株式会社资生堂 | 2016-12-21 | — | — | CN | disclosed |