Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.31 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.31 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.31 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL587891 | 0.80 | SMN1; SMN2 (0.33) | EPHX1 | |
| SCHEMBL22680972 | 0.78 | ACE (0.30) | — | |
| SCHEMBL20599593 | 0.78 | TP53 (0.41) | — | |
| SCHEMBL20003012 | 0.77 | PTGS1 (0.30) | PTGS1 | |
| SCHEMBL1840371 | 0.77 | EPHX2 (0.40) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL5796929 | 0.75 | CYP1A2 (0.46) | EPHX1CYP19A1 | |
| SCHEMBL28046039 | 0.75 | — | — | |
| SCHEMBL15116706 | 0.75 | ATP1A1 (0.40) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL18084128 | 0.75 | ATP1A1 (0.40) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL13949109 | 0.75 | ATP1A1 (0.40) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |