Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772237 | 0.89 | EPHX1 (0.46) | TRPA1EPHX1CYP1A2CPA1MMP2 | |
| SCHEMBL5378074 | 0.84 | CYP1A2 (0.57) | EPHX2PPARGTDP1PPARDPPARA | |
| SCHEMBL12118655 | 0.84 | EPHX1 (0.43) | EPHX2PPARGEPHX1PPARDPPARA | |
| SCHEMBL1825965 | 0.81 | CYP1A2 (0.64) | EPHX2PPARGTRPA1EPHX1CYP1A2 | |
| SCHEMBL7333189 | 0.81 | PPARG (0.49) | EPHX2PPARGTDP1TRPA1PPARD | |
| SCHEMBL15933205 | 0.79 | EPHX2 (0.73) | EPHX2PPARGTDP1PPARACYP1A2 | |
| SCHEMBL22240364 | 0.79 | EPHX2 (0.73) | EPHX2PPARGTDP1PPARACYP1A2 | |
| SCHEMBL7384829 | 0.79 | CYP1A2 (0.65) | PPARGPPARACYP1A2CPA1MMP2 | |
| SCHEMBL5720704 | 0.79 | CYP1A2 (0.41) | EPHX1CYP1A2GAAMAPK1CA1 | |
| SCHEMBL13575658 | 0.78 | PPARG (0.56) | EPHX2PPARGTDP1PPARDPPARA |
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-105873915-B | For treating the compound of mental illness | BRISTOL-MYERS SQUIBB CO. (US) | 2019-07-16 | — | — | CN | disclosed |