Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.30 |
| ▸ | TYK2 known ✓ | P29597 | 1/20 | 0.30 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.33 |
| ▸ | AKT1 | P31749 | 5/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1559078 | 0.95 | RPS6KB1 (0.36) | RPS6KB1AKT1CSNK2A2CSNK2BPIM1 | |
| SCHEMBL29377248 | 0.95 | RPS6KB1 (0.36) | RPS6KB1AKT1CSNK2A2CSNK2BPIM1 | |
| Hydrochloric Acid SCHEMBL1560043 | 0.94 | RPS6KB1 (0.35) | RPS6KB1AKT1CSNK2A2CSNK2BPIM1 | |
| Trifluoroacetic Acid SCHEMBL9936778 | 0.88 | L3MBTL1 (0.34) | RPS6KB1AKT1CSNK2A2CSNK2BPIM1 | |
| SCHEMBL1558505 | 0.83 | CSNK2A2 (0.35) | RPS6KB1AKT1CSNK2A2CSNK2B | |
| Hydrochloric Acid SCHEMBL6052926 | 0.82 | CSNK2A2 (0.34) | RPS6KB1AKT1CSNK2A2CSNK2B | |
| SCHEMBL382262 | 0.81 | YTHDC1 (0.45) | JAK2JAK1TYK2JAK3 | |
| Phosphoric Acid SCHEMBL20600152 | 0.79 | CCNA2 (0.48) | RPS6KB1AKT1CSNK2A2CSNK2BPIM1 | |
| SCHEMBL2172072 | 0.75 | PARP1 (0.49) | — | |
| SCHEMBL9940583 | 0.72 | HASPIN (0.36) | PIM1TTKPIM2CCNA2CDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645535-A1 | NEW SALT OF N-(2,6-DIETHYLPHENYL)-8-({4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}AM INO)-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ITS PREPARATION AND FORMULATIONS CONTAINING IT | Les Laboratoires Servier SAS (FR) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019002454-A1 | NEW SALT OF N-(2,6-DIETHYLPHENYL)-8-({4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}AM INO)-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ITS PREPARATION AND FORMULATIONS CONTAINING IT | LES LABORATOIRES SERVIER (FR) | 2019-01-03 | — | — | WO | disclosed |