Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 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 | |
|---|---|---|---|---|
| SCHEMBL28241039 | 0.79 | CHRM1 (0.41) | MMEGRIK1GRIK2 | |
| SCHEMBL11323555 | 0.74 | CDC25A (0.35) | CYP2C19 | |
| SCHEMBL20104750 | 0.72 | TSHR (0.35) | CYP2C19TSHRMMEOR51E2 | |
| SCHEMBL5391660 | 0.72 | GPR84 (0.46) | GRIK1GRIK2 | |
| SCHEMBL27840378 | 0.71 | CYP2D6 (0.35) | — | |
| SCHEMBL27858027 | 0.71 | CYP2D6 (0.35) | — | |
| SCHEMBL8670866 | 0.70 | CYP2C19 (0.38) | CYP2C19TSHRNFKB1MMEFFAR3 | |
| SCHEMBL28139936 | 0.70 | TSHR (0.38) | CYP2C19TSHRNFKB1MMEFFAR3 | |
| SCHEMBL8277249 | 0.70 | TSHR (0.42) | CYP2C19TSHRNFKB1MMEFFAR3 | |
| SCHEMBL27593290 | 0.70 | — | — |
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-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |