Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 17/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | FPR1 | P21462 | 2/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.36 |
| ▸ | FPR3 | P25089 | 2/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | GPR183 | P32249 | 2/20 | 0.36 |
| ▸ | APLNR | P35414 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2586255 | 0.80 | NPSR1 (0.45) | NPSR1CHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL2593678 | 0.70 | NPSR1 (0.51) | NPSR1CHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL31086739 | 0.67 | LMNA (0.33) | NPSR1NFE2L2MEN1KMT2ALMNA | |
| SCHEMBL31086927 | 0.64 | ALDH1A1 (0.37) | NPSR1HTR2ASIGMAR1CYP2D6MEN1 | |
| SCHEMBL31086888 | 0.62 | HTT (0.33) | MEN1KMT2ALMNAMAPT | |
| SCHEMBL31086971 | 0.62 | HTT (0.33) | MEN1KMT2ALMNAMAPT | |
| SCHEMBL2593549 | 0.62 | NPSR1 (0.58) | NPSR1KMT2AMAPT | |
| SCHEMBL31086669 | 0.61 | PAM (0.34) | NPSR1CHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL2594217 | 0.60 | NPSR1 (0.45) | NPSR1MEN1KMT2A | |
| SCHEMBL31086899 | 0.59 | MAPT (0.39) | NPSR1CYP2D6MEN1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011137220-A1 | SMALL MOLECULE NEUROPEPTIDE S ANTAGONISTS FOR THE TREATMENT OF ADDICTIVE DISORDERS, MOOD, ANXIETY AND SLEEP DISORDERS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-11-03 | — | — | WO | disclosed |