Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 7/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 7/20 | 0.43 |
| ▸ | GABRP | O00591 | 6/20 | 0.43 |
| ▸ | GABRD | O14764 | 6/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.43 |
| ▸ | GABRE | P78334 | 6/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 6/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 6/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10518683 | 0.83 | HCAR2 (0.67) | HCAR2CYP1A2GABRA1GABRG2GABRB3 | |
| SCHEMBL11745373 | 0.79 | POLB (0.51) | HCAR2CYP1A2ALDH1A1MAPTNPC1 | |
| Acipimox SCHEMBL6057382 | 0.78 | HCAR2 (1.00) | HCAR2CYP1A2ALDH1A1MAPTLMNA | |
| Acipimox SCHEMBL48922 | 0.78 | HCAR2 (1.00) | HCAR2CYP1A2ALDH1A1MAPTLMNA | |
| SCHEMBL12442577 | 0.78 | HCAR2 (0.73) | HCAR2ALDH1A1 | |
| SCHEMBL1019601 | 0.77 | CYP1A2 (0.59) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11742281 | 0.76 | HCAR2 (0.61) | HCAR2GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL3456871 | 0.75 | CYP1A2 (0.46) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11743379 | 0.75 | CYP1A2 (0.50) | CYP1A2GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL1644378 | 0.70 | CYP1A2 (0.52) | CYP1A2GABRA1GABRG2GABRB3GABRA5 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4002750-A | HYPOGLYCEMIC AND HYPOLIPEMIC AGENTS | CARLO ERBA S.P.A. (IT) | 1977-01-11 | — | — | US | claimed |
| CN-111574435-B | 4,4' -dipyridyl methylpyrazine derivative eutectic crystal | 鲁南制药集团股份有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115073384-B | Acipimox crystal form and preparation method thereof | 山东新时代药业有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-111518040-B | Methylpyrazine derivative-piperazine eutectic | 鲁南制药集团股份有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-111518098-B | Methylpyrazine derivative theophylline dihydrate | 鲁南制药集团股份有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115073384-A | Acipimox crystal form and preparation method thereof | 山东新时代药业有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-109438372-B | Methyl pyrazine derivative methanol compound | 鲁南制药集团股份有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-109438370-B | Methylpyrazine derivative anhydrous crystal form | 鲁南制药集团股份有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-113493421-A | 1, 2-di (4-pyridyl) ethane-acipimox eutectic crystal | 鲁南制药集团股份有限公司 | 2021-10-12 | — | — | CN | disclosed |
| CN-109369546-B | Methylpyrazine derivative theophylline hemihydrate | 鲁南制药集团股份有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-109503475-B | Isonicotinamide methylpyrazine derivative eutectic I | 鲁南制药集团股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-109438371-B | Methylpyrazine derivative arginine hydrate | 鲁南制药集团股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111574435-A | 4,4' -bipyridine methylpyrazine derivative eutectic | 鲁南制药集团股份有限公司 | 2020-08-25 | — | — | CN | disclosed |
| CN-111518098-A | Methylpyrazine derivative theophylline dihydrate | 鲁南制药集团股份有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111518040-A | Methylpyrazine derivative-piperazine eutectic | 鲁南制药集团股份有限公司 | 2020-08-11 | — | — | CN | disclosed |
| EP-0088395-B1 | A PROCESS FOR THE PREPARATION OF PYRAZINE DERIVATIVES | FARMITALIA CARLO ERBA S.p.A. (IT) | 1986-07-16 | — | — | EP | disclosed |
| US-4511718-A | Preparation of pyrazine derivatives | FARMITALIA CARLO ERBA S.P.A. (IT) | 1985-04-16 | — | — | US | disclosed |
| EP-0088395-A1 | A process for the preparation of pyrazine derivatives | FARMITALIA CARLO ERBA S.p.A. (IT) | 1983-09-14 | — | — | EP | disclosed |
| US-4051245-A | HYPOGLYCEMIC AND HYPOLIPAEMIC ACTIVITY | CARLO ERBA, S.P.A. (IT) | 1977-09-27 | — | — | US | disclosed |
| US-4002750-A | HYPOGLYCEMIC AND HYPOLIPEMIC AGENTS | CARLO ERBA S.P.A. (IT) | 1977-01-11 | — | — | US | disclosed |