Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 9/20 | 0.37 |
| ▸ | DRD2 | P14416 | 6/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.37 |
| ▸ | DRD1 | P21728 | 4/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.37 |
| ▸ | HRH1 | P35367 | 4/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.37 |
| ▸ | HTR2B | P41595 | 4/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14156781 | 1.00 | CHRM1 (0.37) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL5243541 | 0.99 | CHRM1 (0.37) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL5243548 | 0.99 | CHRM1 (0.37) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| SCHEMBL6234315 | 0.95 | CHRM1 (0.36) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| SCHEMBL6234319 | 0.95 | CHRM1 (0.36) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL4845952 | 0.94 | DRD2 (0.36) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| SCHEMBL14156780 | 0.94 | CHRM1 (0.39) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL4845961 | 0.94 | DRD2 (0.36) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL4840002 | 0.94 | CHRM1 (0.39) | CHRM1DRD2CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL4840014 | 0.94 | CHRM1 (0.39) | CHRM1DRD2CHRM2CHRM4CHRM5 |
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-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | claimed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | claimed |