Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | QPCT | Q16769 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8267672 | 1.00 | ALDH1A1 (0.59) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL29429215 | 1.00 | ALDH1A1 (0.59) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL16541197 | 0.95 | ALDH1A1 (0.57) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL30436962 | 0.89 | ALDH1A1 (0.73) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL169808 | 0.89 | ALDH1A1 (0.73) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL31451377 | 0.86 | ALDH1A1 (0.80) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL14924444 | 0.86 | ALDH1A1 (0.80) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL19232228 | 0.80 | HSD17B10 (0.40) | ALDH1A1GAAHSD17B10MAPTHPGD | |
| SCHEMBL2061061 | 0.79 | MAPT (0.44) | ALDH1A1GAAHSD17B10MAPTATM | |
| SCHEMBL29429213 | 0.79 | FABP6 (0.45) | ALDH1A1GAAHSD17B10MAPTHPGD |
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-110511220-B | P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine | 上海挚盟医药科技有限公司 | 2022-04-01 | — | — | CN | disclosed |