Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 1.00 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12175523 | 0.81 | NPSR1 (0.68) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL27249951 | 0.74 | NPSR1 (0.59) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL2589910 | 0.68 | NPSR1 (0.59) | NPSR1ALDH1A1POLBKDM4ERAB9A | |
| SCHEMBL2595693 | 0.68 | NPSR1 (1.00) | NPSR1ALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL146530 | 0.66 | GPR84 (0.57) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL21035552 | 0.66 | GPR84 (0.57) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL10395712 | 0.66 | GPR84 (0.57) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL29473770 | 0.66 | GPR84 (0.57) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL11124013 | 0.66 | GPR84 (0.52) | NPSR1GPR84ALDH1A1IMPDH2POLB | |
| SCHEMBL1310255 | 0.66 | IMPDH2 (0.64) | NPSR1GPR84ALDH1A1IMPDH2KDM4E |
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 |