Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3169231 | 0.88 | EPHX2 (0.47) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL12276428 | 0.86 | EPHX1 (0.46) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| Acetic Acid SCHEMBL25356110 | 0.85 | EPHX1 (0.56) | EPHX1HSD11B1CYP2C9ALDH1A1KMT2A | |
| SCHEMBL13208 | 0.85 | EPHX1 (0.58) | EPHX1CTSKHSD11B1CYP2C9ALDH1A1 | |
| SCHEMBL27866761 | 0.82 | HSD11B1 (0.46) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL12539827 | 0.81 | CTSK (0.46) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL21894802 | 0.81 | EPHX1 (0.49) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL18061088 | 0.81 | CA1 (0.49) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL4510271 | 0.81 | EPHX1 (0.43) | EPHX1CTSKHSD11B1CYP2C9GAA | |
| SCHEMBL18061103 | 0.81 | HSD11B1 (0.47) | EPHX1CTSKHSD11B1CYP2C9GAA |
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-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |