Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28112856 | 1.00 | EPHX1 (0.41) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| Formic Acid Methyl Ester SCHEMBL28113507 | 1.00 | EPHX1 (0.41) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| Formic Acid Methyl Ester SCHEMBL28112828 | 0.96 | EPHX1 (0.39) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL1062309 | 0.92 | EPHX1 (0.47) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL16528516 | 0.92 | EPHX1 (0.47) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL487705 | 0.92 | EPHX1 (0.47) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL79825 | 0.88 | EPHX1 (0.44) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL145280 | 0.88 | EPHX1 (0.44) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| SCHEMBL1268688 | 0.88 | EPHX1 (0.44) | EPHX1SCN9ALMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL2422106 | 0.86 | EPHX1 (0.43) | EPHX1SCN9ALMNACYP1A2CYP2D6 |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |