Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151669 | 0.93 | EPHX1 (0.77) | EPHX1PPARAPPARGALDH1A1MC4R | |
| SCHEMBL1516139 | 0.88 | EPHX1 (1.00) | EPHX1ALDH1A1CHRM1UBE2NPOLB | |
| SCHEMBL4664796 | 0.86 | PPARA (0.56) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8620330 | 0.86 | EPHX1 (0.96) | EPHX1ALDH1A1CHRM1UBE2NPOLB | |
| SCHEMBL28108267 | 0.83 | EPHX1 (0.77) | EPHX1CYP2D6CYP2C19PPARAPPARG | |
| SCHEMBL11021257 | 0.83 | EPHX1 (0.77) | EPHX1ALDH1A1CHRM1UBE2NMEN1 | |
| SCHEMBL6958211 | 0.83 | ESR1 (0.60) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8672896 | 0.83 | EPHX1 (0.53) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29609176 | 0.83 | EPHX1 (0.71) | EPHX1PPARAPPARGMEN1KMT2A | |
| SCHEMBL28919781 | 0.83 | EPHX1 (0.71) | EPHX1PPARAPPARGCHRM1MEN1 |
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-105985256-B | A kind of method of synthesis α alkyl virtue acetamides | 南京理工大学 | 2018-01-05 | — | — | CN | disclosed |
| CN-105985256-A | Method for synthesizing alpha-alkylarylacetamide | 南京理工大学 | 2016-10-05 | — | — | CN | disclosed |