Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL410636 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL27557881 | 0.65 | ESR1 (0.44) | SMN1; SMN2L3MBTL1HPGDCYP3A4ALDH1A1 | |
| Alcohol SCHEMBL2443956 | 0.65 | — | — | |
| SCHEMBL28719906 | 0.65 | ESR1 (0.44) | SMN1; SMN2L3MBTL1PTPN1CYP3A4ALDH1A1 | |
| Propane SCHEMBL28440529 | 0.64 | — | — | |
| Isobutanol SCHEMBL27627626 | 0.64 | TSHR (0.60) | SMN1; SMN2PTPN1ALDH1A1PTGS2NPC1 | |
| SCHEMBL592132 | 0.64 | — | — | |
| SCHEMBL3267186 | 0.63 | SLC13A5 (0.44) | SMN1; SMN2L3MBTL1HPGDALDH1A1MAPT | |
| SCHEMBL19731918 | 0.63 | ESR1 (0.48) | CYP17A1CYP2C19MAPTNPC1RAB9A | |
| SCHEMBL25166714 | 0.61 | TSHR (0.30) | ALDH1A1CYP2C19 |
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-109475120-B | Antimicrobial compositions | 西姆莱斯股份公司 | 2022-03-29 | — | — | CN | disclosed |