Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | AOC1 | P19801 | 4/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13261338 | 0.92 | TDP1 (0.49) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL873728 | 0.88 | CYP2E1 (0.49) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL827903 | 0.84 | TDP1 (0.43) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL9587868 | 0.83 | TDP1 (0.46) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL20643181 | 0.80 | CYP2D6 (0.46) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL214076 | 0.79 | — | — | |
| SCHEMBL8765014 | 0.78 | L3MBTL1 (0.42) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL22511907 | 0.78 | TDP1 (0.42) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL7253760 | 0.78 | L3MBTL1 (0.42) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 | |
| SCHEMBL26014137 | 0.78 | L3MBTL1 (0.42) | TDP1L3MBTL1CYP2D6CYP2E1CYP2C8 |
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-107427758-A | Utilize the separation of ion liquid solvent | 切弗朗菲利浦化学公司 | 2017-12-01 | — | — | CN | claimed |
| US-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |