Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | MC3R | P41968 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11422057 | 0.81 | ADORA3 (0.62) | GAAADORA3TSHRMC4RADRA1A | |
| SCHEMBL5062627 | 0.81 | KDM4E (0.61) | GAAADORA3TSHRMC4RADRA1A | |
| SCHEMBL29132984 | 0.79 | GAA (0.55) | GAAADORA3TSHRMC4RADRA1A | |
| SCHEMBL565773 | 0.79 | ADORA3 (0.58) | GAAADORA3TSHRMC4RADRA1A | |
| SCHEMBL709377 | 0.77 | ADORA3 (0.56) | GAAADORA3TSHRMC4RADRA1A | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 | 0.77 | ADORA3 (0.61) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL27455922 | 0.77 | — | — | |
| SCHEMBL11473907 | 0.76 | ADORA3 (0.54) | GAAADORA3TSHRMC4RADRA1A | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 | 0.76 | ADORA3 (0.59) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL1412848 | 0.75 | KDM4E (0.59) | GAAADORA3TSHRMC4RADRA1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0017153-B1 | NOVEL PYRAZINECARBOXAMIDES, PROCESSES FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1983-01-26 | — | — | EP | claimed |
| EP-0017153-A1 | Novel pyrazinecarboxamides, processes for preparing and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1980-10-15 | — | — | EP | claimed |
| US-4224447-A | DIURETICS | MERCK & CO., INC. (US) | 1980-09-23 | — | — | US | claimed |
| EP-0017153-B1 | NOVEL PYRAZINECARBOXAMIDES, PROCESSES FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1983-01-26 | — | — | EP | disclosed |
| EP-0017153-A1 | Novel pyrazinecarboxamides, processes for preparing and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1980-10-15 | — | — | EP | disclosed |
| US-4224447-A | DIURETICS | MERCK & CO., INC. (US) | 1980-09-23 | — | — | US | disclosed |