Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 9/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | HK1 | P19367 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17403816 | 0.81 | NPSR1 (0.51) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL2595693 | 0.79 | NPSR1 (1.00) | NPSR1HSD17B10CYP2C19ALDH1A1HPGD | |
| SCHEMBL10067380 | 0.77 | CYP11B2 (0.68) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL822744 | 0.73 | ALDH1A1 (0.59) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL10529112 | 0.72 | ALDH1A1 (0.58) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL29078839 | 0.72 | ALDH1A1 (0.58) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL28186733 | 0.72 | ALDH1A1 (0.57) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL4785226 | 0.72 | ALDH1A1 (0.57) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL17403754 | 0.71 | NPSR1 (0.52) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA | |
| SCHEMBL10652634 | 0.69 | ALDH1A1 (0.69) | NPSR1HSD17B10CYP2C19ALDH1A1LMNA |
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 |