Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL910172 | 0.81 | TP53 (0.53) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL1821556 | 0.81 | GABRG2 (0.54) | TP53CYP3A4NQO1LTA4HSMN1; SMN2 | |
| SCHEMBL12251491 | 0.81 | TP53 (0.53) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL694324 | 0.81 | TP53 (0.53) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.79 | TP53 (0.71) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL27952682 | 0.78 | TAAR1 (0.57) | LTA4HKDM4ESMN1; SMN2 | |
| SCHEMBL852785 | 0.78 | ACHE (0.50) | CYP3A4ALDH1A1 | |
| SCHEMBL1857053 | 0.77 | NQO1 (0.67) | NQO1LTA4HKDM4ETDP1ALDH1A1 | |
| SCHEMBL852434 | 0.77 | MAOB (0.57) | LMNACYP1A2CYP2C19 | |
| SCHEMBL921758 | 0.75 | LTA4H (0.50) | TP53CYP3A4LTA4HMAPK1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4379888-A1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-06-05 | — | — | EP | disclosed |
| CN-117795727-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery provided with same | 信越化学工业株式会社 | 2024-03-29 | — | — | CN | disclosed |