Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| M-Xylene SCHEMBL19915253 | 0.89 | ACHE (0.71) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| M-Xylene SCHEMBL909803 | 0.86 | ACHE (0.67) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| Toluene SCHEMBL4857374 | 0.81 | ACHE (0.61) | ACHEALDH1A1MAPTNPC1RAB9A | |
| Nitrogen SCHEMBL20184124 | 0.81 | ACHE (0.73) | ACHEALDH1A1CYP3A4NPC1RAB9A | |
| M-Xylene SCHEMBL891494 | 0.80 | ACHE (1.00) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| M-Xylene SCHEMBL6397624 | 0.80 | — | — | |
| M-Xylene SCHEMBL28189 | 0.80 | — | — | |
| M-Xylene SCHEMBL27786701 | 0.77 | ACHE (0.80) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL19260368 | 0.77 | ACHE (0.85) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| M-Xylene SCHEMBL18045662 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106045836-B | A kind of method of copper catalysis synthesis aromatic hydrocarbons or heterocycle trifluoromethyl ketone | 福州大学 | 2018-04-13 | — | — | CN | disclosed |
| CN-106045836-A | Method for synthesizing aromatic hydrocarbon or heterocyclic trifluoromethylketone under catalytic action of copper | 福州大学 | 2016-10-26 | — | — | CN | disclosed |
| CN-105120865-A | Muscarinic agonists | ACADIA PHARM INC | 2015-12-02 | — | — | CN | disclosed |