Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 1.00 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2591581 | 0.79 | NPSR1 (1.00) | NPSR1CYP19A1ALDH1A1MEN1KMT2A | |
| SCHEMBL1074359 | 0.75 | NPSR1 (0.60) | NPSR1ESR1ESR2CYP19A1CNR1 | |
| SCHEMBL18787054 | 0.70 | ESR1 (0.87) | NPSR1ESR1ESR2CYP19A1ALDH1A1 | |
| SCHEMBL29799621 | 0.69 | ESR1 (1.00) | ESR1ESR2CYP19A1ALDH1A1KDM4E | |
| SCHEMBL3929385 | 0.69 | ESR1 (0.63) | NPSR1ESR1ESR2CYP19A1ALDH1A1 | |
| SCHEMBL3864662 | 0.69 | ESR1 (1.00) | ESR1ESR2CYP19A1ALDH1A1KDM4E | |
| SCHEMBL27293850 | 0.69 | ESR1 (0.63) | NPSR1ESR1ESR2CYP19A1ALDH1A1 | |
| SCHEMBL18191236 | 0.68 | AHR (0.53) | NPSR1ESR1ESR2ALDH1A1MEN1 | |
| SCHEMBL31681138 | 0.67 | ESR1 (0.61) | NPSR1ESR1ESR2CYP19A1ALDH1A1 | |
| SCHEMBL1260425 | 0.67 | CYP11B1 (0.66) | NPSR1ESR1ESR2CYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |