Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL11027618 | 0.84 | KCNH2 (0.45) | SLC18A2KCNH2 | |
| SCHEMBL11028695 | 0.79 | KCNH2 (0.39) | KCNH2 | |
| SCHEMBL11030839 | 0.72 | SLC18A2 (0.40) | SLC18A2KCNH2 | |
| SCHEMBL4664890 | 0.69 | MTNR1B (0.40) | MTNR1B | |
| SCHEMBL11024548 | 0.68 | MTNR1B (0.42) | SLC18A2KCNH2MTNR1B | |
| SCHEMBL11031319 | 0.65 | SLC18A2 (0.42) | SLC18A2 | |
| SCHEMBL11025726 | 0.65 | TACR2 (0.44) | — | |
| SCHEMBL11288045 | 0.64 | ATM (0.51) | SLC18A2 | |
| SCHEMBL28328103 | 0.64 | ABCB1 (0.60) | SLC18A2KCNH2MTNR1B | |
| SCHEMBL14548187 | 0.63 | FAAH (0.45) | — |
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-0086678-B1 | PROCESS FOR THE PREPARATION OF 2-ACYL-1,3,4,6,7,11B-2H-HEXAHYDRO-4-PYRAZINO(2,1-A)ISOQUINOLINONES AND INTERMEDIATES | ELF SANOFI (FR) | 1985-07-03 | — | — | EP | disclosed |