Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GRN | P28799 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL3102110 | 1.00 | CYP2D6 (0.43) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL4620172 | 1.00 | CYP2D6 (0.43) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL4621576 | 0.82 | BCHE (0.45) | EPHX1GRNSORT1KMT2AHPGD | |
| SCHEMBL4620970 | 0.82 | BCHE (0.45) | EPHX1GRNSORT1KMT2AHPGD | |
| SCHEMBL7043148 | 0.81 | BCHE (0.47) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL7368780 | 0.81 | BCHE (0.47) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL5725198 | 0.81 | SMN1; SMN2 (0.43) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL4620202 | 0.76 | LTA4H (0.47) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL4620196 | 0.76 | LTA4H (0.47) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL4619210 | 0.76 | LTA4H (0.47) | CYP2D6EPHX1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1884230-A1 | PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN | Shiseido Company, Limited (JP) | 2008-02-06 | — | — | EP | disclosed |