Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL296105 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| SCHEMBL30640363 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| SCHEMBL135801 | 0.82 | CA1 (0.60) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| SCHEMBL29443910 | 0.81 | ALOX15 (0.46) | ALDH1A1MMP2ALOX15CA1CA2 | |
| SCHEMBL7899541 | 0.81 | ALOX15 (0.46) | ALDH1A1MMP2ALOX15CA1CA2 | |
| SCHEMBL6153587 | 0.81 | TSHR (0.57) | ALDH1A1MMP2ALOX15CA1CA2 | |
| SCHEMBL11558488 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| Ammonia Solution, Strong SCHEMBL10686249 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| Water SCHEMBL9316143 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10MMP2HPGD | |
| SCHEMBL3176518 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10MMP2HPGD |
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-105777669-B | The method that 2 ethyoxyl 5 (the base sulfonyl of 4 methyl piperazine 1) benzoic acid are prepared with gaultherolin | 锦州医科大学 | 2018-03-20 | — | — | CN | claimed |