Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 11/20 | 0.45 |
| ▸ | CA1 | P00915 | 11/20 | 0.45 |
| ▸ | CA2 | P00918 | 11/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 6/20 | 0.35 |
| ▸ | CA5A | P35218 | 6/20 | 0.35 |
| ▸ | CA7 | P43166 | 6/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | PDIA4 | P13667 | 1/20 | 0.34 |
| ▸ | PDIA3 | P30101 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL23552481 | 1.00 | CA12 (0.45) | CA12CA1CA2CA9TSHR | |
| SCHEMBL23552438 | 0.93 | CA12 (0.45) | CA12CA1CA2CA9TSHR | |
| SCHEMBL23552264 | 0.89 | CA12 (0.42) | CA12CA1CA2CA9TSHR | |
| SCHEMBL23552259 | 0.84 | P4HB (0.48) | CA12CA1CA2TSHRPTPN1 | |
| SCHEMBL23552315 | 0.79 | CA12 (0.44) | CA12CA1CA2CA9TSHR | |
| SCHEMBL23552312 | 0.79 | P4HB (0.48) | CA2TSHRPTPN1P4HBPDIA4 | |
| SCHEMBL23552464 | 0.78 | P4HB (0.47) | CA2TSHRPTPN1P4HBPDIA4 | |
| SCHEMBL23552427 | 0.77 | P4HB (0.47) | CA2TSHRPTPN1P4HBPDIA4 | |
| SCHEMBL24149171 | 0.74 | CA2 (0.61) | CA12CA1CA2CA9TSHR | |
| SCHEMBL24709882 | 0.74 | CA2 (0.61) | CA12CA1CA2CA9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121362-A1 | FURANEOL GLYCOSIDE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 复旦大学 | 2021-06-24 | — | — | WO | disclosed |