Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18051745 | 0.88 | PTPN1 (0.68) | CYP3A4ACHENR1H2NR1H3PTPN1 | |
| SCHEMBL28836551 | 0.86 | CYP3A4 (0.65) | CYP3A4ACHENR1H2NR1H3PTPN1 | |
| SCHEMBL24206472 | 0.85 | PTGES (0.61) | CYP3A4ACHENR1H2NR1H3PTPN1 | |
| SCHEMBL725269 | 0.84 | CYP3A4 (0.77) | CYP3A4ACHENR1H2NR1H3MEN1 | |
| SCHEMBL2762730 | 0.84 | PTGES (0.67) | CYP3A4ACHEPTPN1PTPN11MEN1 | |
| SCHEMBL29683894 | 0.84 | PTGES (0.67) | CYP3A4ACHEPTPN1PTPN11MEN1 | |
| SCHEMBL15782810 | 0.79 | MEN1 (0.70) | CYP3A4ACHENR1H2NR1H3PTPN1 | |
| SCHEMBL2648416 | 0.79 | CA12 (0.47) | CYP3A4ACHENR1H2NR1H3MEN1 | |
| SCHEMBL15524360 | 0.79 | PTPN1 (0.76) | CYP3A4ACHENR1H2NR1H3PTPN1 | |
| SCHEMBL7333042 | 0.78 | PTPN1 (0.59) | CYP3A4ACHENR1H2NR1H3PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110554120-B | Detection method of tree moss fragrant ester substance | 云南中烟工业有限责任公司 | 2021-08-03 | — | — | CN | claimed |
| CN-110554120-A | Detection method of tree moss aroma phenolic substances | CHINA TOBACCO YUNNAN IND CO LTD | 2019-12-10 | — | — | CN | claimed |