Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8407233 | 1.00 | KCNJ1 (0.47) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL27747461 | 0.86 | KCNJ1 (0.45) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL14424184 | 0.84 | KCNJ1 (0.46) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL10854988 | 0.81 | KCNJ1 (0.49) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL21200199 | 0.80 | KMT2A (0.55) | ALDH1A1MAPTL3MBTL1TSHRTDP1 | |
| SCHEMBL21200200 | 0.80 | KMT2A (0.55) | ALDH1A1MAPTL3MBTL1TSHRTDP1 | |
| SCHEMBL16806066 | 0.79 | ALDH1A1 (0.50) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL16806060 | 0.79 | ALDH1A1 (0.50) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL173199 | 0.79 | ALDH1A1 (0.50) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL1966503 | 0.78 | KCNJ1 (0.44) | KCNJ1KCNH2ALDH1A1MAPTL3MBTL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114349687-B | 3, 5-dicarboxylic ester-1, 4-dihydropyridine hydrogenation reagent, preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-114349685-B | 1, 4-dihydropyridine hydrogenation reagent, preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-114349686-B | 1, 4-dihydropyridine chiral hybrid hydrogenation reagent, preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2023-07-07 | — | — | CN | disclosed |
| WO-2022077851-A1 | 1,4-DIHYDROPYRIDINE CHIRAL HYBRID HYDROGENATION REAGENT, PREPARATION METHOD AND APPLICATION THEREOF | 中山奕安泰医药科技有限公司 | 2022-04-21 | — | — | WO | disclosed |
| WO-2022077852-A1 | 3,5-DICARBOXYLIC ACID ESTER-1,4-DIHYDROPYRIDINE HYDROGENATING REAGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中山奕安泰医药科技有限公司 | 2022-04-21 | — | — | WO | disclosed |
| CN-114349687-A | 3, 5-dicarboxylic ester-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114349686-A | 1, 4-dihydropyridine chiral hybrid hydrogenation reagent and preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114349685-A | 3, 5-diamide-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2022-04-15 | — | — | CN | disclosed |