Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL991061 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRUSP2CA2TGFBR1 | |
| SCHEMBL8757325 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRTGFBR1TET2EGLN1 | |
| SCHEMBL6950834 | 0.69 | ALDH1A1 (0.56) | ALDH1A1TSHRCA2TGFBR1TET2 | |
| SCHEMBL8295 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL11801654 | 0.66 | — | — | |
| SCHEMBL28352291 | 0.66 | — | — | |
| Methyl Alcohol SCHEMBL15233825 | 0.66 | ALDH1A1 (0.53) | ALDH1A1TSHRTGFBR1TET2EGLN1 | |
| SCHEMBL28824476 | 0.66 | — | — | |
| SCHEMBL28345369 | 0.66 | — | — | |
| SCHEMBL28791576 | 0.66 | — | — |
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-115336070-A | Nonaqueous electrolyte secondary battery and nonaqueous electrolyte | 三菱化学株式会社 | 2022-11-11 | — | — | CN | disclosed |