Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15394358 | 0.85 | KIF11 (0.53) | GRIN1GRIN2BDYRK1ADYRK2ALDH1A1 | |
| SCHEMBL16068085 | 0.83 | GRIN1 (0.55) | GRIN1GRIN2BALDH1A1SCN2AGAA | |
| SCHEMBL8274248 | 0.81 | GRIN1 (0.56) | GRIN1GRIN2BALDH1A1SCN2AGAA | |
| SCHEMBL11158643 | 0.81 | CCNA2 (0.55) | GRIN1GRIN2BDYRK1ADYRK2ALDH1A1 | |
| SCHEMBL30704262 | 0.81 | MAP4K4 (0.62) | ALDH1A1SCN2AGAAATML3MBTL1 | |
| SCHEMBL28051302 | 0.81 | MAP4K4 (0.62) | ALDH1A1SCN2AGAAATML3MBTL1 | |
| SCHEMBL13803129 | 0.81 | ALDH1A1 (0.47) | GRIN1GRIN2BDYRK1ADYRK2ALDH1A1 | |
| SCHEMBL29678302 | 0.79 | TSHR (0.58) | ALDH1A1SCN2AIDO1PGRMAOB | |
| SCHEMBL1263144 | 0.79 | TSHR (0.58) | ALDH1A1SCN2AIDO1PGRMAOB | |
| SCHEMBL6241092 | 0.78 | CTSS (0.58) | GRIN1GRIN2BALDH1A1SCN2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117343004-A | Preparation method of 2-aminopyridine compound | 易简和成(江苏)医药科技有限公司 | 2024-01-05 | — | — | CN | disclosed |