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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28992422 | 0.84 | CYP2A6 (0.47) | HSD17B10CA12CA9CA1CA2 | |
| SCHEMBL4121239 | 0.82 | FLT3 (0.35) | CES2CES1HSD17B10NAPRTPOLB | |
| Naphthalene SCHEMBL28104781 | 0.81 | CYP2A6 (0.53) | CES2CES1HSD17B10NAPRTMAPT | |
| Naphthalene SCHEMBL27548576 | 0.81 | CYP2A6 (0.53) | CES2CES1HSD17B10NAPRTMAPT | |
| Naphthalene SCHEMBL263645 | 0.81 | CYP2A6 (0.53) | CES2CES1HSD17B10NAPRTMAPT | |
| Naphthalene SCHEMBL3759523 | 0.81 | CYP2A6 (0.53) | CES2CES1HSD17B10NAPRTMAPT | |
| Naphthalene SCHEMBL28769152 | 0.81 | CYP2A6 (0.53) | CES2CES1HSD17B10NAPRTMAPT | |
| SCHEMBL8020 | 0.81 | — | — | |
| SCHEMBL7167764 | 0.81 | CYP2A6 (0.50) | HSD17B10CA12CA9CA1CA2 | |
| SCHEMBL240390 | 0.81 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002038557-A9 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | ARYX THERAPEUTICS (US) | 2003-09-18 | — | — | WO | disclosed |
| EP-1322630-A2 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | Aryx Therapeutics (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002038557-A2 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | ARYX THERAPEUTICS (US) | 2002-05-16 | — | — | WO | disclosed |
| US-6316487-B1 | FOR THERAPY OF VENTRICULAR TACHYARRHYTHMIAS, ESPECIALLY IN PATIENTS WITH CONGESTIVE HEART FAILURE AND VENTRICULAR ARRHYTHMIAS AND SUPRAVENTRICULAR ARRHYTHMIAS, INCLUDING ATRIAL FIBRILLATION AND RE-ENTRANT TACHYARRHYTHMIAS | ARYX THERAPEUTICS | 2001-11-13 | — | — | US | disclosed |
| US-6130240-A | Compound for treatment of cardiac arrhythmia, synthesis, and methods of use | ARYX THERAPEUTICS, INC. (US) | 2000-10-10 | — | — | US | disclosed |
| US-6057357-A | USEFUL IN TREATING PAIN, INFLAMMATION, PSORIASIS AND IRRITABLE BOWEL SYNDROME | WARNER-LAMBERT COMPANY (US) | 2000-05-02 | — | — | US | disclosed |
| US-5849788-A | Compound for treatment of cardiac arphythmia, synthesis, and methods of use | ARYX THERAPEUTICS (US) | 1998-12-15 | — | — | US | disclosed |
| WO-1998049158-A1 | PERIPHERALLY SELECTIVE KAPPA OPIOID AGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |
| EP-0703910-B1 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | ARYX THERAPEUTICS (US) | 1998-01-07 | — | — | EP | disclosed |
| EP-0703910-A1 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | Advanced Therapies, Inc. (US) | 1996-04-03 | — | — | EP | disclosed |
| US-5440054-A | Compound for treatment of cardiac arrhythmia, synthesis, and methods of use | ADVANCED THERAPIES, INC. (US) | 1995-08-08 | — | — | US | disclosed |
| WO-1994029289-A1 | BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA | ADVANCED THERAPIES, INC. (US) | 1994-12-22 | — | — | WO | disclosed |
| US-4346076-A | Bis-tetrazoylmethyl substituted cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1982-08-24 | — | — | US | disclosed |
| EP-0048169-A2 | Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-24 | — | — | EP | disclosed |