Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 3/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.43 |
| ▸ | RRM2 | P31350 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722629 | 1.00 | AOC1 (0.43) | AOC1AOC3RRM2NCOA1NCOA3 | |
| SCHEMBL11489377 | 0.82 | RRM2 (0.37) | RRM2NCOA1NCOA3BACE1ALDH1A1 | |
| SCHEMBL11623989 | 0.81 | IDO1 (0.45) | AOC1AOC3BACE1ALDH1A1L3MBTL1 | |
| SCHEMBL21730317 | 0.80 | CYP2A6 (0.41) | RRM2NCOA1NCOA3BACE1PDCD1 | |
| SCHEMBL9228907 | 0.80 | L3MBTL1 (0.53) | RRM2NCOA1NCOA3ALDH1A1L3MBTL1 | |
| SCHEMBL6178457 | 0.77 | ALDH1A1 (0.41) | RRM2NCOA1NCOA3ALDH1A1L3MBTL1 | |
| SCHEMBL27498842 | 0.77 | BACE1 (0.45) | BACE1ALDH1A1L3MBTL1POLBTDP1 | |
| SCHEMBL7348432 | 0.74 | GAA (0.43) | ALDH1A1TDP1KDM4EMAPTSHMT2 | |
| SCHEMBL30880797 | 0.74 | MAPT (0.43) | BACE1ALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL21730328 | 0.74 | MAPT (0.43) | BACE1ALDH1A1L3MBTL1POLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115181092-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-115181092-A | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-112279837-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-08-09 | — | — | CN | disclosed |