Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29362654 | 1.00 | NPSR1 (1.00) | NPSR1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL2595693 | 0.81 | NPSR1 (1.00) | NPSR1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL17589451 | 0.72 | NPSR1 (0.55) | NPSR1ALDH1A1GAAHTTMAPT | |
| SCHEMBL11991061 | 0.71 | NPSR1 (0.53) | NPSR1ALDH1A1GAAHTTMAPT | |
| SCHEMBL14076803 | 0.70 | NPSR1 (0.54) | NPSR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL14020807 | 0.70 | CA2 (0.52) | NPSR1ALDH1A1GAAHTTMAPT | |
| SCHEMBL17403754 | 0.69 | NPSR1 (0.52) | NPSR1ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL12175523 | 0.69 | NPSR1 (0.68) | NPSR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL22379230 | 0.69 | NPSR1 (0.53) | NPSR1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL31132408 | 0.69 | GPR3 (0.61) | NPSR1KDM4EALDH1A1GAAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113980049-A | Preparation method of diphenylphosphine substituted indole derivative | 河南省科学院化学研究所有限公司 | 2022-01-28 | — | — | CN | 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 |
| 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 |