Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL335028 | 0.83 | — | — | |
| SCHEMBL335011 | 0.77 | — | — | |
| SCHEMBL25898376 | 0.75 | — | — | |
| SCHEMBL35970 | 0.75 | — | — | |
| SCHEMBL19039488 | 0.75 | ALDH1A1 (0.52) | ALDH1A1EPHX1 | |
| SCHEMBL3693292 | 0.75 | — | — | |
| Water SCHEMBL2401892 | 0.75 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL12221345 | 0.74 | EPHX1 (0.39) | ALDH1A1SMN1; SMN2EPHX1 | |
| SCHEMBL4926002 | 0.74 | — | — | |
| SCHEMBL336480 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57085374-A | — | — | None | — | — | JP | disclosed |
| JP-S5785374-A | 5-FLUOROURACIL DERIVATIVE AND ITS PREPARATION | MITSUI TOATSU CHEM INC | 1982-05-28 | — | — | JP | disclosed |