Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 7/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 7/20 | 0.44 |
| ▸ | SCN8A | Q9UQD0 | 7/20 | 0.44 |
| ▸ | SCN1B | Q07699 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL789292 | 0.88 | SCN1A (0.47) | ALDH1A1TDP1MAPTUSP2ESR2 | |
| SCHEMBL14048178 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16657376 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4036326 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1SCN1ASCN5ASCN8A | |
| SCHEMBL2529240 | 0.78 | SCN9A (0.48) | ALDH1A1TDP1SCN5A | |
| SCHEMBL899333 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPTUSP2ESR2 | |
| SCHEMBL28112318 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1SCN1ASCN5ASCN8A | |
| SCHEMBL2981886 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL16657377 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TDP1MAPTUSP2SMN1; SMN2 | |
| SCHEMBL28151503 | 0.72 | MAPT (0.64) | ALDH1A1MAPTUSP2ESR2HSD17B10 |
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-2012037351-A1 | COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |