Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26086587 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL19283273 | 0.96 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL21517233 | 0.96 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL17125452 | 0.96 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL276393 | 0.96 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL25625159 | 0.96 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL26384351 | 0.94 | ALDH1A1 (0.43) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL17366608 | 0.92 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL29396610 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL9971879 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAPK1GRIN2DGRIN2AGRIN2B |
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-115819324-A | Organic compounds | 株式会社半导体能源研究所 | 2023-03-21 | — | — | CN | disclosed |