Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 19/20 | 1.00 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.76 |
| ▸ | RAD52 | P43351 | 1/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.57 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.57 |
| ▸ | FPR1 | P21462 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | HRH2 | P25021 | 2/20 | 0.57 |
| ▸ | FPR3 | P25089 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.57 |
| ▸ | GPR183 | P32249 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL12175493 | 0.76 | NPSR1 (1.00) | NPSR1CHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL2595552 | 0.70 | NPSR1 (0.54) | NPSR1PSMD14RAD52CHRM2CHRM4 | |
| SCHEMBL2595693 | 0.60 | NPSR1 (1.00) | NPSR1 | |
| SCHEMBL517954 | 0.59 | ESR1 (0.68) | NPSR1 | |
| SCHEMBL10521791 | 0.57 | ESR1 (0.58) | NPSR1 | |
| SCHEMBL8846854 | 0.57 | ESR1 (0.58) | NPSR1 | |
| Phosphine SCHEMBL15190577 | 0.57 | ESR1 (0.65) | NPSR1 | |
| SCHEMBL31176947 | 0.57 | ESR1 (0.65) | NPSR1 | |
| SCHEMBL9772833 | 0.57 | ESR1 (0.65) | NPSR1 | |
| SCHEMBL10523337 | 0.54 | NPSR1 (0.44) | NPSR1 |
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 |