Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19747521 | 0.84 | GABRA1 (0.30) | GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL19748477 | 0.81 | NT5E (0.30) | GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL21999123 | 0.81 | HSP90AA1 (0.35) | AURKAAURKBPTGS2PTGS1 | |
| SCHEMBL14431560 | 0.75 | NPC1 (0.32) | — | |
| SCHEMBL11266710 | 0.72 | ADRB1 (0.43) | — | |
| SCHEMBL24068092 | 0.71 | SMN1; SMN2 (0.46) | GABRB3 | |
| SCHEMBL19748146 | 0.67 | L3MBTL1 (0.34) | AURKAGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL24068039 | 0.67 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8240168 | 0.65 | CSNK1E (0.33) | — | |
| SCHEMBL27162756 | 0.65 | NR2E1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0013914-B1 | PIPERAZINYL-IMIDAZO(1,2-A)PYRAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-12-15 | — | — | EP | disclosed |
| US-4242344-A | ANOREXIGENIC, HYPOTENSIVE, ANTISMOKING, AND ANTIARRYTHMIA AGENTS; ANTIDEPRESSANTS; ANALGESICS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| EP-0013914-A1 | Piperazinyl-imidazo(1,2-a)pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-08-06 | — | — | EP | disclosed |