Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10400049 | 0.76 | EPHX1 (0.41) | EPHX1TSHRHTR2BCYP2C19 | |
| SCHEMBL6109677 | 0.76 | EPHX1 (0.41) | EPHX1TSHRHTR2BCYP2C19 | |
| SCHEMBL10400517 | 0.76 | EPHX1 (0.41) | EPHX1TSHRHTR2BCYP2C19 | |
| SCHEMBL5301553 | 0.76 | EPHX1 (0.41) | EPHX1TSHRHTR2BCYP2C19 | |
| SCHEMBL10034792 | 0.76 | EPHX1 (0.41) | EPHX1TSHRHTR2BCYP2C19 | |
| SCHEMBL5057401 | 0.76 | EPHX1 (0.36) | EPHX1TSHR | |
| SCHEMBL3644410 | 0.70 | EPHX1 (0.52) | EPHX1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL63809 | 0.70 | EPHX1 (0.52) | EPHX1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL1103798 | 0.70 | EPHX1 (0.52) | EPHX1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL12914371 | 0.70 | EPHX1 (0.52) | EPHX1TSHRCHRM2CHRM4CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087932-A2 | ENZYMATIC RESOLUTION OF (±) METHYL TRANS-3-PHENYL GLYCIDATE | SHASUN CHEMICALS AND DRUGS LIMITED (IN) | 2004-10-14 | — | — | WO | disclosed |