Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 12/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8789180 | 0.81 | CYP2A6 (0.48) | MTNR1AMTNR1B | |
| SCHEMBL8650343 | 0.77 | MTNR1A (0.41) | MTNR1AMTNR1BHTR1AHTR1DHTR2C | |
| SCHEMBL8788554 | 0.74 | PSMD10 (0.41) | MTNR1AMTNR1BKIF11HRH3 | |
| SCHEMBL22937053 | 0.70 | TSHR (0.42) | HRH3 | |
| SCHEMBL29686890 | 0.69 | PRSS1 (0.50) | HTR1A | |
| SCHEMBL8650374 | 0.68 | CA2 (0.41) | MTNR1AMTNR1BKIF11HRH3 | |
| SCHEMBL22937051 | 0.66 | RARG (0.39) | — | |
| SCHEMBL28752006 | 0.66 | PRSS1 (0.46) | — | |
| SCHEMBL29686658 | 0.66 | PRSS1 (0.46) | — | |
| SCHEMBL29170120 | 0.65 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |