Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL163434 | 0.97 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL29523028 | 0.97 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| Methane SCHEMBL7871211 | 0.94 | ACHE (0.38) | ACHENFE2L2CES2CES1TAAR1 | |
| Methyl Alcohol SCHEMBL27472875 | 0.90 | ACHE (0.40) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL437240 | 0.78 | APOBEC3G (0.33) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL17508132 | 0.76 | ACHE (0.42) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL2455081 | 0.76 | CES2 (0.39) | ACHECES2CES1SLC6A2SLC6A4 | |
| SCHEMBL8375069 | 0.76 | ACHE (0.36) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL998479 | 0.76 | ACHE (0.36) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL5730844 | 0.76 | ACHE (0.36) | ACHENFE2L2CES2CES1TAAR1 |
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-117303991-A | 4-trifluoromethyl substituted aromatic amine and synthesis method thereof | 江苏笃行致远新材料科技有限公司 | 2023-12-29 | — | — | CN | disclosed |