Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL22342526 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL2582202 | 0.74 | NPSR1 (1.00) | NPSR1ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL22627410 | 0.74 | NPC1 (0.72) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8874253 | 0.74 | RAB9A (0.76) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL1050868 | 0.74 | ALDH1A1 (0.62) | NPSR1ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL15825411 | 0.74 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL22615058 | 0.74 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL14705971 | 0.72 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL14022520 | 0.71 | GAA (0.67) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL1967979 | 0.71 | TUBB4A (0.64) | ALDH1A1KDM4EHPGDMAPTGAA |
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 |