Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4661016 | 0.99 | CHRM1 (0.48) | CHRM2CHRM1ALDH1A1CFDCHRM3 | |
| SCHEMBL4662576 | 0.84 | CHRM2 (0.42) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL4662321 | 0.84 | CHRM1 (0.69) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| Iodide SCHEMBL4661193 | 0.83 | CHRM2 (0.41) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| Bromide SCHEMBL4661215 | 0.83 | CHRM1 (0.68) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL13980090 | 0.81 | CHRM2 (0.72) | CHRM2CHRM1ALDH1A1CFDCHRM3 | |
| SCHEMBL3690034 | 0.81 | CHRM2 (0.72) | CHRM2CHRM1ALDH1A1CFDCHRM3 | |
| SCHEMBL4662587 | 0.79 | CHRM2 (0.52) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| Iodide SCHEMBL4661017 | 0.78 | CHRM2 (0.51) | CHRM2CHRM1ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL5147780 | 0.77 | CHRM2 (0.57) | CHRM2CHRM1ALDH1A1CYP2D6KCNH2 |
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 |