Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 10/20 | 1.00 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL2590788 | 0.81 | NPSR1 (1.00) | NPSR1GPR3KDM4EALDH1A1GAA | |
| SCHEMBL29362654 | 0.81 | NPSR1 (1.00) | NPSR1GPR3KDM4EALDH1A1GAA | |
| SCHEMBL2593679 | 0.79 | NPSR1 (0.66) | NPSR1GPR3ALDH1A1HPGDCYP2C19 | |
| SCHEMBL2587268 | 0.78 | NPSR1 (0.63) | NPSR1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL2593998 | 0.78 | NPSR1 (0.63) | NPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL2586743 | 0.75 | NPSR1 (0.58) | NPSR1KDM4EALDH1A1TDP1 | |
| SCHEMBL2594864 | 0.73 | NPSR1 (1.00) | NPSR1TSHR | |
| SCHEMBL2594863 | 0.73 | NPSR1 (1.00) | NPSR1TSHR | |
| SCHEMBL483003 | 0.70 | GPR3 (0.61) | NPSR1GPR3KDM4EALDH1A1GAA | |
| SCHEMBL31132408 | 0.70 | GPR3 (0.61) | NPSR1GPR3KDM4EALDH1A1GAA |
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 |