Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577749 | 0.88 | MAPT (0.51) | EPHX2FAAHCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28583981 | 0.86 | CYP1A2 (0.69) | EPHX2FAAHCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11367454 | 0.86 | CYP1A2 (0.69) | EPHX2FAAHCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11145687 | 0.84 | EPHX2 (0.48) | EPHX2FAAHMAPTPOLBTRPV1 | |
| SCHEMBL11145651 | 0.82 | EPHX2 (0.46) | EPHX2FAAHCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1304551 | 0.78 | EPHX2 (0.63) | EPHX2FAAHCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL24542785 | 0.77 | PPARA (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28591350 | 0.77 | NR4A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2610067 | 0.76 | CYP1A2 (0.81) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3237160 | 0.76 | MAPT (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-112778154-B | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-112778154-A | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-05-11 | — | — | CN | disclosed |