Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7208477 | 1.00 | CHRM2 (0.34) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| SCHEMBL683685 | 0.85 | CHRM2 (0.36) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Hydrochloric Acid SCHEMBL9835779 | 0.83 | ATM (0.35) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3450045 | 0.83 | CYP2D6 (0.48) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL5861606 | 0.83 | CYP2D6 (0.48) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3450044 | 0.83 | CYP2D6 (0.48) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL683739 | 0.83 | CYP2D6 (0.48) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1485819 | 0.81 | CTSC (0.39) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3511447 | 0.81 | CTSC (0.39) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL28234838 | 0.81 | CTSC (0.39) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 |
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-0804465-B1 | NOVEL ELASTASE INHIBITORS | AVENTIS PHARMA INC (US) | 2003-08-06 | — | — | EP | disclosed |