Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13852844 | 0.88 | CA1 (0.32) | SMN1; SMN2CA1CA2ZDHHC7 | |
| SCHEMBL4302611 | 0.82 | CA1 (0.36) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL25224860 | 0.81 | TSHR (0.40) | ALDH1A1SMN1; SMN2MAPTNPSR1CA1 | |
| SCHEMBL24082020 | 0.79 | TSHR (0.44) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL7518295 | 0.78 | GAA (0.39) | ALDH1A1CYP2D6SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL24082211 | 0.78 | TSHR (0.42) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL22310267 | 0.77 | MAPT (0.40) | ALDH1A1CYP2D6SMN1; SMN2CYP2C19MAPT | |
| SCHEMBL29954187 | 0.77 | CA1 (0.33) | SMN1; SMN2MAPTCA1CA2ZDHHC7 | |
| SCHEMBL7337554 | 0.76 | MAPT (0.44) | ALDH1A1CYP2D6CYP2C19MAPTMGAM | |
| SCHEMBL4302618 | 0.73 | MAPT (0.42) | ALDH1A1CYP2D6SMN1; SMN2CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3919484-A1 | HEXONE GLUCOKINASE INHIBITOR AND USE THEREOF | Shandong Xuanzhu Pharma Co., Ltd. (CN) | 2021-12-08 | — | — | EP | disclosed |