Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2816852 | 0.84 | CCNB2 (0.35) | ALDH1A1AURKANPC1KDM4EMEN1 | |
| Anisole SCHEMBL28270507 | 0.82 | CA4 (0.48) | ALDH1A1NR1H2NR1H3CYP1A2NR1I2 | |
| SCHEMBL11061663 | 0.78 | STAT3 (0.43) | — | |
| SCHEMBL17687651 | 0.78 | AURKA (0.46) | ALDH1A1AURKANR1H2NR1H3DCUN1D1 | |
| SCHEMBL8003377 | 0.76 | KDM4E (0.36) | ALDH1A1AURKANPC1KDM4EMEN1 | |
| SCHEMBL2948397 | 0.76 | AURKA (0.44) | ALDH1A1AURKANR1H2NR1H3DCUN1D1 | |
| Methoxymethane SCHEMBL27581743 | 0.76 | STAT3 (0.38) | — | |
| Methoxymethane SCHEMBL28698428 | 0.76 | STAT3 (0.38) | — | |
| Benzene SCHEMBL29181649 | 0.72 | STAT3 (0.47) | ALDH1A1NPC1KDM4EGAATP53 | |
| Benzene SCHEMBL1525265 | 0.72 | STAT3 (0.47) | ALDH1A1NPC1KDM4EGAATP53 |
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-103694093-A | Method for preparing p-methoxybenzaldehyde perfume in presence of metalloporphyrin through catalytic oxidation of p-methoxytoluene | UNIV BEIJING TECHNOLOGY | 2014-04-02 | — | — | CN | disclosed |