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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27669406 | 0.82 | CALM1 (0.47) | ALDH1A1TSHRSMN1; SMN2MAOBTP53 | |
| Iodide SCHEMBL27313116 | 0.82 | CALM1 (0.47) | ALDH1A1TSHRSMN1; SMN2MAOBTP53 | |
| SCHEMBL27463000 | 0.81 | CYP2C9 (0.53) | ALDH1A1LMNACYP1A2SMN1; SMN2NPC1 | |
| Acetic Acid SCHEMBL7431776 | 0.77 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1AKR1B1 | |
| Propene SCHEMBL28306179 | 0.76 | TP53 (0.40) | ALDH1A1TSHRMAOBTP53 | |
| Benzyl Alcohol SCHEMBL1047215 | 0.75 | TSHR (0.74) | ALDH1A1LMNACES2CES1AKR1B1 | |
| SCHEMBL10739452 | 0.75 | TP53 (0.50) | ALDH1A1TSHRMAOBTP53 | |
| Ethylbenzene SCHEMBL10979046 | 0.75 | TP53 (0.74) | ALDH1A1LMNACES2CES1AKR1B1 | |
| SCHEMBL11563852 | 0.74 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1AKR1B1 | |
| Acetic Acid SCHEMBL14334872 | 0.73 | ALDH1A1 (0.58) | ALDH1A1LMNACES2CES1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110325554-A | Manufacturing method, modified conjugated diene polymer, rubber composition and the tire of modified conjugated diene polymer | 株式会社普利司通 | 2019-10-11 | — | — | CN | disclosed |
| CN-109071685-A | Terminal-modified conjugated diene polymer, rubber composition, and rubber article | 株式会社普利司通 | 2018-12-21 | — | — | CN | disclosed |
| CN-104945540-A | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORP | 2015-09-30 | — | — | CN | disclosed |
| CN-102239211-A | Rubber composition | BRIDGESTONE CORP | 2011-11-09 | — | — | CN | disclosed |
| CN-101874044-A | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORP | 2010-10-27 | — | — | CN | disclosed |
| CN-101356215-A | Thermoplastic elastomer composition, foam product, and process for production of the composition or foam product | JSR CORP (JP) | 2009-01-28 | — | — | CN | disclosed |
| CN-101175935-A | Diaphragm and pump for gas or liquid transportation using same | JSR CORP (JP) | 2008-05-07 | — | — | CN | disclosed |