Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL305826 | 1.00 | EPHX1 (0.42) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL305547 | 0.98 | EPHX1 (0.39) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL9669443 | 0.94 | EPHX1 (0.35) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL305167 | 0.85 | EPHX1 (0.40) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| Cilexetil SCHEMBL3483374 | 0.84 | EPHX1 (0.44) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL16731836 | 0.84 | EPHX1 (0.44) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL12603500 | 0.84 | EPHX1 (0.42) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL1240114 | 0.82 | EPHX1 (0.43) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL1240113 | 0.82 | EPHX1 (0.43) | EPHX1CYP19A1NAAAHTTCYP2C19 | |
| SCHEMBL3483069 | 0.82 | EPHX1 (0.41) | EPHX1CYP19A1NAAAHTTCYP2C19 |
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-2857385-A1 | PRODRUG OF FLUORINE-CONTAINING AMINO ACID | Taisho Pharmaceutical Co., Ltd. (JP) | 2015-04-08 | — | — | EP | disclosed |