Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16322541 | 0.90 | ERN1 (0.41) | ERN1CYP3A4MAPTBACE1ALDH1A1 | |
| SCHEMBL2160957 | 0.81 | BACE1 (0.35) | ERN1CYP3A4MAPTBACE1TDP1 | |
| SCHEMBL29459677 | 0.80 | ERN1 (0.76) | ERN1CYP3A4MAPTALDH1A1TRIM24 | |
| SCHEMBL1002616 | 0.80 | ERN1 (0.76) | ERN1CYP3A4MAPTALDH1A1TRIM24 | |
| Phloroglucinaldehyde SCHEMBL307321 | 0.78 | ERN1 (0.48) | ERN1CYP3A4MAPTUSP2BACE1 | |
| Phloroglucinaldehyde SCHEMBL19463561 | 0.75 | ERN1 (0.47) | ERN1CYP3A4MAPTUSP2BACE1 | |
| Phloroglucinaldehyde SCHEMBL28075548 | 0.75 | ERN1 (0.47) | ERN1CYP3A4MAPTUSP2BACE1 | |
| Phloroglucinaldehyde SCHEMBL9238987 | 0.75 | ERN1 (0.47) | ERN1CYP3A4MAPTUSP2BACE1 | |
| SCHEMBL2027536 | 0.72 | ERN1 (0.46) | ERN1CYP3A4MAPTHPGDESR1 | |
| SCHEMBL16732140 | 0.72 | ERN1 (0.41) | ERN1CYP3A4MAPTALDH1A1TRIM24 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217535-A | Preparation method and application of Littordials A, B and F | 江苏诺唯康生物医药有限公司 | 2023-06-06 | — | — | CN | claimed |
| CN-116492320-B | Application of eucalyptol I in preparation of tumor immunotherapy synergist | 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） | 2023-09-29 | — | — | CN | disclosed |
| CN-116492320-A | Application of eucalyptol I in preparation of tumor immunotherapy synergist | 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） | 2023-07-28 | — | — | CN | disclosed |
| CN-116217535-A | Preparation method and application of Littordials A, B and F | 江苏诺唯康生物医药有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-116217535-A | Preparation method and application of Littordials A, B and F | 江苏诺唯康生物医药有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-115348985-A | Method for adjusting the electron energy level of a covalent organic framework for the manufacture of high-rate sodium-ion battery anodes | 印度科学教育研究院 | 2022-11-15 | — | — | CN | disclosed |
| CN-108451937-B | Application of macrocarpal I in preparation of antitumor drugs | 南方医科大学 | 2021-03-16 | — | — | CN | disclosed |