Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.66 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.66 |
| ▸ | DRD1 | P21728 | 4/20 | 0.66 |
| ▸ | DRD3 | P35462 | 4/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.66 |
| ▸ | HTR1A | P08908 | 2/20 | 0.66 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.66 |
| ▸ | BCL2 | P10415 | 1/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9438870 | 0.83 | DRD3 (0.61) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL9438865 | 0.83 | DRD3 (0.61) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Hydrochloric Acid SCHEMBL9439042 | 0.83 | CYP2D6 (0.62) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Hydrochloric Acid SCHEMBL9439039 | 0.83 | CYP2D6 (0.62) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Chlorcyclizine SCHEMBL12157065 | 0.80 | KCNH2 (1.00) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Chlorcyclizine SCHEMBL16769331 | 0.80 | KCNH2 (1.00) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Chlorcyclizine SCHEMBL4383 | 0.80 | KCNH2 (1.00) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| Chlorcyclizine SCHEMBL13724147 | 0.80 | KCNH2 (1.00) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL9438860 | 0.80 | CHRM2 (0.71) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL2056217 | 0.80 | CHRM2 (0.86) | CHRM2ADRA2ACHRM1DRD1DRD3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5364843-A | Chlorophenyl methoxybenzyl-4-allylpiperazine dihydrochloride | BURROUGHS WELLCOME CO. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0409406-B1 | ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-09-08 | — | — | EP | disclosed |
| US-5124330-A | (E)-ethyl 3-(4-chloro-α-(4-methyl-1-piperazinyl)benzyl)cinnamate used for potentiating the effects of antitumor agents and combating multiple drug resistance | BURROUGHS WELLCOME COMPANY (US) | 1992-06-23 | — | — | US | disclosed |
| EP-0487502-A2 | Pharmaceutically active aryl-substituted amine derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-27 | — | — | EP | disclosed |
| EP-0409406-A2 | Aryl-substituted amine derivatives useful in cancer therapy | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |
| WO-1990015599-A1 | MEDICAMENTS USEFUL IN CANCER THERAPY AND HAVING ANTIHISTAMINIC PROPERTIES | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-12-27 | — | — | WO | disclosed |