Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA4 | P22748 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 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 | |
|---|---|---|---|---|
| Tenitramine SCHEMBL29373173 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MMP2MMP9CA12CA1 | |
| Trolnitrate SCHEMBL362506 | 0.97 | ALDH1A1 (0.42) | ALDH1A1MMP2MMP9CA12CA1 | |
| Trolnitrate SCHEMBL27869649 | 0.92 | ALDH1A1 (0.39) | ALDH1A1MMP2MMP9CA12CA1 | |
| Trolnitrate SCHEMBL6390411 | 0.86 | ALDH1A1 (0.34) | ALDH1A1MMP2MMP9 | |
| Trolnitrate SCHEMBL286264 | 0.86 | ALDH1A1 (0.34) | ALDH1A1MMP2MMP9 | |
| Trolnitrate SCHEMBL10606948 | 0.84 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL22397745 | 0.84 | ALDH1A1 (0.33) | ALDH1A1MMP2MMP9 | |
| Trolnitrate SCHEMBL22588490 | 0.84 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL9249444 | 0.84 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL1718077 | 0.84 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |