Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14369096 | 0.84 | CHRNB2 (0.41) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| SCHEMBL6665422 | 0.84 | CHRNB2 (0.41) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| SCHEMBL1071308 | 0.84 | CHRNB2 (0.41) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| Hydrochloric Acid SCHEMBL4432748 | 0.82 | CHRNB2 (0.40) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| Hydrochloric Acid SCHEMBL4433636 | 0.82 | CHRNB2 (0.40) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| Hydrochloric Acid SCHEMBL31511527 | 0.82 | CHRNB2 (0.40) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL27751161 | 0.77 | SLC6A1 (0.36) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL27996949 | 0.76 | TDP1 (0.41) | CHRM2CHRM1CHRM3TDP1 | |
| Tert-Butyl Formate SCHEMBL27996950 | 0.76 | TDP1 (0.41) | CHRM2CHRM1CHRM3TDP1 | |
| Tert-Butyl Formate SCHEMBL27804927 | 0.75 | TDP1 (0.37) | CHRNB2CHRNA4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611039-A | HCV NS3 protease inhibitors | MERCK & CO INC (US) | 2009-12-23 | — | — | CN | disclosed |