Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5386070 | 0.88 | KDM4E (0.48) | MAPTKDM4ECYP3A4ALDH1A1HPGD | |
| SCHEMBL30573100 | 0.88 | KDM4E (0.42) | MAPTKDM4ECYP3A4ALDH1A1HPGD | |
| SCHEMBL11409379 | 0.88 | KDM4E (0.42) | MAPTKDM4ECYP3A4ALDH1A1HPGD | |
| SCHEMBL15267966 | 0.82 | TSHR (0.41) | MAPTCYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL23516391 | 0.81 | XDH (0.37) | MAPTKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL7942019 | 0.81 | TP53 (0.35) | ALDH1A1TP53TDP1 | |
| SCHEMBL21838256 | 0.79 | TRPA1 (0.50) | MAPTCYP3A4ALDH1A1HPGDCYP1A2 | |
| SCHEMBL28622384 | 0.79 | LMNA (0.53) | MAPTCYP3A4ALDH1A1HPGDCYP1A2 | |
| SCHEMBL28257683 | 0.76 | SLC22A6 (0.30) | SLC22A8ESR1ESR2SLC22A6SIRT1 | |
| SCHEMBL713770 | 0.76 | CYP3A4 (0.35) | CYP3A4MAPK1TP53TDP1 |
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-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |