Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | DRD1 | P21728 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9308470 | 0.98 | SIGMAR1 (0.67) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL13663060 | 0.86 | DRD1 (0.73) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9309721 | 0.80 | SIGMAR1 (0.97) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9309563 | 0.77 | SIGMAR1 (0.97) | SIGMAR1 | |
| Setiptiline SCHEMBL211362 | 0.77 | DRD1 (1.00) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| Setiptiline SCHEMBL29414110 | 0.77 | DRD1 (1.00) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9308002 | 0.77 | SIGMAR1 (0.55) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| Hydrochloric Acid SCHEMBL9308175 | 0.76 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL12355565 | 0.76 | DRD1 (0.73) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL10728179 | 0.76 | DRD1 (0.86) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5294618-A | Psychological disorders | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-15 | — | — | US | disclosed |
| EP-0410535-A2 | Octahydrobenzisoquinoline derivatives as antipsychotic agents | MERCK SHARP & DOHME LTD. (GB) | 1991-01-30 | — | — | EP | disclosed |
| EP-0106487-A2 | Improvements in or relating to novel bridged hexahydrobenz(f)isoquinolines | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |
| US-4166183-A | TRICYCLIC CYCLITOLAMINES | E. R. SQUIBB & SONS, INC. (US) | 1979-08-28 | — | — | US | disclosed |