Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8711388 | 0.99 | CHRM1 (0.44) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8716678 | 0.97 | KDM1A (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8713976 | 0.96 | KDM1A (0.46) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8711472 | 0.93 | CYP2D6 (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8714248 | 0.89 | CYP2D6 (0.49) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8712253 | 0.88 | CYP2D6 (0.48) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| SCHEMBL8713838 | 0.86 | CHRNA7 (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| Hydrochloric Acid SCHEMBL8716150 | 0.86 | CHRNA7 (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| Hydrochloric Acid SCHEMBL8716149 | 0.86 | CHRNA7 (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A | |
| Hydrochloric Acid SCHEMBL8717079 | 0.86 | CHRNA7 (0.47) | CHRM2CHRM1CHRM3CYP2D6ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5830902-A | SQUALENE SYNTHASE INHIBITOR | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-03 | — | — | US | disclosed |
| EP-0812840-A1 | NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-12-17 | — | — | EP | disclosed |