Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23122433 | 0.79 | ALDH1A1 (0.40) | CA1CA2CA9ALDH1A1CYP3A4 | |
| SCHEMBL1026141 | 0.79 | GPR35 (0.41) | GPR35ESR1ESR2MCL1AR | |
| SCHEMBL27856588 | 0.79 | ALDH1A1 (0.46) | ARTSHRALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7063757 | 0.77 | GPR35 (0.48) | GPR35ESR1ESR2CA12CA1 | |
| SCHEMBL1670128 | 0.77 | GPR35 (0.44) | GPR35ESR1ESR2CA12CA1 | |
| SCHEMBL4582714 | 0.76 | GPR35 (0.47) | GPR35ESR1ESR2CA12CA1 | |
| SCHEMBL16831028 | 0.76 | AR (0.37) | ARMAPK1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL28313855 | 0.76 | GPR35 (0.38) | GPR35ESR1ESR2CA12CA1 | |
| SCHEMBL30834568 | 0.74 | AR (0.43) | ARHPGDTSHRMAPK1SMN1; SMN2 | |
| SCHEMBL594277 | 0.73 | GPR35 (0.44) | GPR35ESR1ESR2CA12CA1 |
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-110114358-A | Novel compound and pharmacologically acceptable salt thereof | 明治制果药业株式会社 | 2019-08-09 | — | — | CN | disclosed |