Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Diorcinol SCHEMBL28744720 | 0.78 | ALDH1A1 (0.60) | PTPN1HCAR1ALDH1A1CA2TSHR | |
| Diorcinol SCHEMBL29629136 | 0.78 | ALDH1A1 (0.60) | PTPN1HCAR1ALDH1A1CA2TSHR | |
| SCHEMBL28367094 | 0.78 | HCAR1 (0.54) | PTPN1HCAR1GLO1ALDH1A1CA12 | |
| SCHEMBL29807406 | 0.78 | HCAR1 (0.54) | PTPN1HCAR1GLO1ALDH1A1CA12 | |
| SCHEMBL29807828 | 0.78 | HCAR1 (0.69) | PTPN1HCAR1ALDH1A1CA12CA1 | |
| SCHEMBL28363894 | 0.78 | HCAR1 (0.69) | PTPN1HCAR1ALDH1A1CA12CA1 | |
| SCHEMBL16431698 | 0.77 | CYP3A4 (0.61) | PTPN1MCL1BCL2L1HCAR1GLO1 | |
| SCHEMBL31335826 | 0.77 | CSNK2A1 (0.57) | MCL1HCAR1CSNK2A1ALDH1A1CA12 | |
| SCHEMBL5940950 | 0.77 | CSNK2A1 (0.57) | MCL1HCAR1CSNK2A1ALDH1A1CA12 | |
| SCHEMBL18341497 | 0.75 | NPC1 (0.53) | MCL1ALDH1A1CA12CA1CA2 |
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-115322169-A | Polyketone compounds, preparation method and application thereof | 自然资源部第三海洋研究所 | 2022-11-11 | — | — | CN | disclosed |