Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | LCLAT1 | Q6UWP7 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19684886 | 0.93 | ALDH1A1 (0.50) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL24468015 | 0.87 | SMN1; SMN2 (0.48) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL22176379 | 0.87 | MAPT (0.47) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL29629519 | 0.87 | SMN1; SMN2 (0.48) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL22175901 | 0.85 | MAPT (0.46) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL22176362 | 0.85 | ALDH1A1 (0.49) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL7959141 | 0.84 | PTPN11 (0.51) | MAPTALDH1A1SCN8ASCN10AHSD17B10 | |
| SCHEMBL7649272 | 0.84 | CA9 (0.51) | MAPTALDH1A1SMN1; SMN2HTTSCN8A | |
| SCHEMBL22176383 | 0.84 | ALDH1A1 (0.50) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL2610714 | 0.83 | CHEK1 (0.47) | MAPTHSP90AA1ALDH1A1SMN1; SMN2CYP1A2 |
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-2017088738-A1 | MODIFIED COMPOUND OF ANDROGRAPHOLIDE | 南京明德新药研发股份有限公司 | 2017-06-01 | — | — | WO | disclosed |