Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4661017 | 0.99 | CHRM2 (0.51) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| SCHEMBL4662576 | 0.92 | CHRM2 (0.42) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| Iodide SCHEMBL4661193 | 0.91 | CHRM2 (0.41) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| SCHEMBL4662321 | 0.87 | CHRM1 (0.69) | CHRM2CHRM1CHRM3LMNAKCNH2 | |
| SCHEMBL4662485 | 0.87 | ALDH1A1 (0.39) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| Bromide SCHEMBL4661215 | 0.86 | CHRM1 (0.68) | CHRM2CHRM1CHRM3CHRM5LMNA | |
| Iodide SCHEMBL4661188 | 0.86 | ALDH1A1 (0.39) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| SCHEMBL4771281 | 0.83 | CHRM2 (0.41) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| Iodide SCHEMBL4661295 | 0.82 | CHRM2 (0.41) | CHRM2CHRM1CHRM3CHRM5HRH1 | |
| SCHEMBL725535 | 0.81 | CHRM2 (0.77) | CHRM2CHRM1CHRM3CHRM5HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | claimed |
| US-7439397-B2 | reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis | PFIZER INC (US) | 2008-10-21 | — | — | US | disclosed |