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.
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5621001 | 0.97 | FFAR3 (0.44) | — | |
| Acetic Acid SCHEMBL11322690 | 0.91 | FFAR3 (0.39) | — | |
| Bicarbonate SCHEMBL8069099 | 0.86 | GABRR1 (0.45) | — | |
| Methyl Alcohol SCHEMBL27738455 | 0.82 | — | — | |
| Propionic Acid SCHEMBL4033717 | 0.81 | — | — | |
| Acetic Acid SCHEMBL5621003 | 0.81 | CA1 (0.47) | — | |
| SCHEMBL6899221 | 0.79 | GABRR1 (0.44) | — | |
| Acetic Acid SCHEMBL11235050 | 0.79 | — | — | |
| Acetic Acid SCHEMBL449532 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL31377001 | 0.78 | FFAR3 (0.64) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0951484-A4 | COLON CANCER KH-1 AND N3 ANTIGENS | SLOAN KETTERING INST CANCER (US) | 2003-03-12 | — | — | EP | claimed |
| US-20020006900-A1 | Antitumor agents; anticarcinogenic agents | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2002-01-17 | — | — | US | claimed |
| EP-0951484-A2 | COLON CANCER KH-1 AND N3 ANTIGENS | Sloan-Kettering Institute For Cancer Research (US) | 1999-10-27 | — | — | EP | claimed |
| WO-1998030190-A2 | COLON CANCER KH-1 AND N3 ANTIGENS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1998-07-16 | — | — | WO | claimed |
| EP-0951484-A4 | COLON CANCER KH-1 AND N3 ANTIGENS | SLOAN KETTERING INST CANCER (US) | 2003-03-12 | — | — | EP | disclosed |
| US-20020006900-A1 | Antitumor agents; anticarcinogenic agents | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2002-01-17 | — | — | US | disclosed |
| US-6238668-B1 | ADMINISTERING POLYSACCHARIDE | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2001-05-29 | — | — | US | disclosed |
| EP-0951484-A2 | COLON CANCER KH-1 AND N3 ANTIGENS | Sloan-Kettering Institute For Cancer Research (US) | 1999-10-27 | — | — | EP | disclosed |
| WO-1998030190-A2 | COLON CANCER KH-1 AND N3 ANTIGENS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1998-07-16 | — | — | WO | disclosed |