Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | STS | P08842 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2106399 | 0.83 | ALDH1A1 (0.42) | ALDH1A1LMNATSHRGAASMN1; SMN2 | |
| SCHEMBL17331132 | 0.82 | ALDH1A1 (0.37) | ALDH1A1LMNATSHRESR1CHRM1 | |
| SCHEMBL576536 | 0.81 | ALDH1A1 (0.39) | ALDH1A1LMNATSHRESR1CHRM1 | |
| SCHEMBL138475 | 0.79 | HCAR2 (0.48) | ALDH1A1LMNATSHRESR1CHRM1 | |
| Water SCHEMBL27557216 | 0.77 | HCAR2 (0.46) | ALDH1A1LMNATSHRESR1CHRM1 | |
| SCHEMBL17331130 | 0.75 | MMP1 (0.36) | ALDH1A1LMNATSHRESR1CHRM1 | |
| SCHEMBL15859566 | 0.75 | MMP1 (0.39) | — | |
| SCHEMBL28357018 | 0.73 | HCAR2 (0.40) | ALDH1A1LMNATSHRESR1CHRM1 | |
| SCHEMBL1977993 | 0.72 | ALDH1A1 (0.48) | ALDH1A1LMNATSHRHCAR2GAA | |
| SCHEMBL14052985 | 0.72 | CYP3A4 (0.39) | ALDH1A1TSHRTDP1KDM4ECYP3A4 |
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-116848080-A | Compound, composition, electrochemical device, lithium ion secondary battery, and assembly | 大金工业株式会社 | 2023-10-03 | — | — | CN | disclosed |