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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2003424 | 0.94 | NPC1 (0.47) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| Hydrochloric Acid SCHEMBL6053050 | 0.92 | NPC1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| Hydrochloric Acid SCHEMBL9937789 | 0.92 | NPC1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| Hydrochloric Acid SCHEMBL20640295 | 0.92 | NPC1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| Trifluoroacetic Acid SCHEMBL9937132 | 0.84 | NPC1 (0.43) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL4430006 | 0.81 | NPC1 (0.47) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL20600330 | 0.80 | NPC1 (0.39) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL30525283 | 0.79 | NPC1 (0.53) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL30525272 | 0.79 | NPC1 (0.53) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL4049974 | 0.79 | NPC1 (0.53) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 |
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 7 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 | claimed |
| 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 | claimed |
| CN-110896636-B | Salts of compounds that inhibit MPS1 kinase, preparation thereof and formulations comprising the same | 内尔维亚诺医疗科学公司 | 2022-07-19 | — | — | CN | disclosed |
| EP-3645535-B1 | NEW SALT OF N-(2,6-DIETHYLPHENYL)-8-({4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}AMINO)-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ITS PREPARATION AND FORMULATIONS CONTAINING IT | NERVIANO MEDICAL SCIENCES SRL (IT) | 2021-09-08 | — | — | EP | disclosed |
| 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 |
| CN-110896636-A | Novel salts of N- (2, 6-diethylphenyl) -8- ({4- [4- (dimethylamino) piperidin-1-yl ] -2-methoxyphenyl } amino) -1-methyl-4, 5-dihydro-1H-pyrazolo [4,3-H ] quinazoline-3-carboxamide, preparation thereof and formulations containing the same | 法国施维雅药厂 | 2020-03-20 | — | — | CN | 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 |