Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3650221 | 0.90 | DHODH (0.35) | DHODHROCK2 | |
| SCHEMBL3655562 | 0.89 | DHODH (0.33) | DHODH | |
| SCHEMBL4123409 | 0.87 | DHODH (0.34) | DHODHROCK2PTGDR2 | |
| SCHEMBL3804241 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL3652596 | 0.83 | CACNA1G (0.34) | ROCK2 | |
| SCHEMBL3651376 | 0.81 | DHODH (0.31) | DHODH | |
| SCHEMBL3653705 | 0.80 | DHODH (0.33) | DHODHROCK2PTGDR2 | |
| SCHEMBL4123415 | 0.79 | MAPK14 (0.34) | DHODHROCK2PTGDR2 | |
| SCHEMBL3651373 | 0.79 | NFE2L2 (0.30) | — | |
| SCHEMBL3650619 | 0.79 | ALDH1A1 (0.32) | PTGDR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |