Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | 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 SCHEMBL362506 | 0.87 | ALDH1A1 (0.42) | ALDH1A1MMP2MMP9KCNH2CA12 | |
| Tenitramine SCHEMBL28086508 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MMP2MMP9CA12CA1 | |
| Tenitramine SCHEMBL29373173 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MMP2MMP9CA12CA1 | |
| Trolnitrate SCHEMBL27869649 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MMP2MMP9CA12CA1 | |
| Trolnitrate SCHEMBL4604021 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| Trolnitrate SCHEMBL28114056 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KDM4ECA12CA1CA2 | |
| Trolnitrate SCHEMBL6390411 | 0.81 | ALDH1A1 (0.34) | ALDH1A1HSD17B10MMP2MMP9KMT2A | |
| Trolnitrate SCHEMBL286264 | 0.81 | ALDH1A1 (0.34) | ALDH1A1HSD17B10MMP2MMP9KMT2A | |
| Trolnitrate SCHEMBL11423298 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL9249444 | 0.79 | 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-109704654-A | A kind of composition for being filled after tunnel wall, consolidation fluid and preparation method | 中铁隧道集团三处有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-106010203-A | Aqueous metal based paint composition | 关西涂料株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-106010042-A | Aqueous coloring basic paint composition | 关西涂料株式会社 | 2016-10-12 | — | — | CN | disclosed |