Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.60 |
| ▸ | DRD2 | P14416 | 3/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.60 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.60 |
| ▸ | HRH2 | P25021 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13785555 | 0.93 | KCNH2 (0.58) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL14128532 | 0.90 | CHRM3 (0.56) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL11478311 | 0.90 | CHRM3 (0.56) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13590293 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13590341 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13785557 | 0.88 | DRD2 (0.47) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL959792 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13590079 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13592297 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 | |
| SCHEMBL13590478 | 0.88 | CHRM3 (0.61) | CHRM3DRD2CHRM2ADRB2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7572918-B2 | Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine | THERAVANCE, INC. (US) | 2009-08-11 | — | — | US | disclosed |