Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13953179 | 0.87 | BTK (0.37) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL13932848 | 0.87 | BTK (0.37) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL818758 | 0.86 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25602669 | 0.86 | — | — | |
| SCHEMBL23895774 | 0.86 | — | — | |
| SCHEMBL23906283 | 0.86 | — | — | |
| SCHEMBL28655916 | 0.86 | — | — | |
| SCHEMBL14504664 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL28845283 | 0.84 | CHRM2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL23581225 | 0.84 | CHRM2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |