Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL28757858 | 0.93 | — | — | |
| Acetic Acid SCHEMBL28581065 | 0.90 | — | — | |
| Acetic Acid SCHEMBL15657988 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL15658788 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL590853 | 0.89 | — | — | |
| Acetic Acid SCHEMBL211103 | 0.89 | — | — | |
| Acetic Acid SCHEMBL4986972 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL4014382 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL11256435 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL16004804 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALOX15 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112362780-A | High performance liquid detection method of propranolol hydrochloride | 上海药明康德新药开发有限公司 | 2021-02-12 | — | — | CN | claimed |
| CN-107037148-B | The efficient liquid phase detection method of Halofantrine | 上海药明康德新药开发有限公司 | 2019-11-19 | — | — | CN | claimed |
| CN-109884235-A | The efficient liquid phase detection method of carbamazepine | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-109884236-A | The efficient liquid phase detection method of curcumin | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-108918693-A | The efficient liquid phase detection method of Itraconazole | 上海药明康德新药开发有限公司 | 2018-11-30 | — | — | CN | claimed |
| CN-112362780-A | High performance liquid detection method of propranolol hydrochloride | 上海药明康德新药开发有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-112362780-A | High performance liquid detection method of propranolol hydrochloride | 上海药明康德新药开发有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-107037148-B | The efficient liquid phase detection method of Halofantrine | 上海药明康德新药开发有限公司 | 2019-11-19 | — | — | CN | disclosed |
| CN-107037148-B | The efficient liquid phase detection method of Halofantrine | 上海药明康德新药开发有限公司 | 2019-11-19 | — | — | CN | disclosed |
| CN-109884235-A | The efficient liquid phase detection method of carbamazepine | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109884235-A | The efficient liquid phase detection method of carbamazepine | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109884236-A | The efficient liquid phase detection method of curcumin | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109884236-A | The efficient liquid phase detection method of curcumin | 上海药明康德新药开发有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-108918693-A | The efficient liquid phase detection method of Itraconazole | 上海药明康德新药开发有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-108918693-A | The efficient liquid phase detection method of Itraconazole | 上海药明康德新药开发有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-108132313-A | The high-efficiency liquid chromatography method for detecting of BI 1356 | 上海药明康德新药开发有限公司 | 2018-06-08 | — | — | CN | disclosed |