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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.53 |
| ▸ | CA6 | P23280 | 5/20 | 0.53 |
| ▸ | CA7 | P43166 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA4 | P22748 | 4/20 | 0.50 |
| ▸ | CA5A | P35218 | 4/20 | 0.50 |
| ▸ | CA3 | P07451 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2092025 | 1.00 | CA12 (0.53) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL356286 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL4241285 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL1507470 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL10939644 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL5883453 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL9794969 | 0.95 | CA12 (0.58) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL10476813 | 0.95 | CA12 (0.53) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL5380789 | 0.95 | CA12 (0.53) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL17350397 | 0.95 | CA12 (0.58) | CA12CA6CA7CA9CA14 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106474098-B | Immune tolerance inducer | 思佰益药业股份有限公司 | 2020-06-05 | — | — | CN | claimed |
| CN-109294548-B | Low-temperature demulsification viscosity reducer for aging oil and preparation method and application thereof | 西安长庆化工集团有限公司 | 2020-11-10 | — | — | CN | disclosed |
| US-10022345-B2 | Agent for preventing and/or treating veisalgia | SBI PHARMACEUTICALS CO., LTD. (JP) | 2018-07-17 | — | — | US | disclosed |
| EP-2789336-B1 | AGENT FOR PREVENTING AND/OR TREATING HANGOVER | SBI PHARMACEUTICALS CO LTD (JP) | 2016-12-14 | — | — | EP | disclosed |
| US-20160081957-A1 | Agent for Preventing and/or Treating Veisalgia | SBI PHARMACEUTICALS CO LTD (JP) | 2016-03-24 | — | — | US | disclosed |
| US-20140343140-A1 | Agent for Preventing and/or Treating Veisalgia | SBI PHARMACEUTICALS CO., LTD. (JP) | 2014-11-20 | — | — | US | disclosed |
| EP-2789336-A1 | AGENT FOR PREVENTING AND/OR TREATING VEISALGIA | SBI Pharmaceuticals Co., Ltd. (JP) | 2014-10-15 | — | — | EP | disclosed |
| EP-1413197-A2 | Method of preparation of a stomach-action molluscicides | Young, Colin Leslie (AU) | 2004-04-28 | — | — | EP | disclosed |
| US-6447794-B2 | INCLUDING A METAL COMPLEXONE AS AN ACTIVE INGREDIENT; SUCH AS IRON AND CALCIUM WITH ETHYLENEDIAMINETETRAACETIC ACID (EDTA) | Young, Colin Leslie (AU) | 2002-09-10 | — | — | US | disclosed |
| US-6093416-A | COMPRISING AN IRON COMPLEXES OF ETHYLENEDIAMINETETRAACETIC ACID | YOUNG, COLIN LESLIE (AU) | 2000-07-25 | — | — | US | disclosed |
| EP-0921726-A4 | STOMACH-ACTION MOLLUSCICIDES | YOUNG COLIN LESLIE (AU) | 2000-06-21 | — | — | EP | disclosed |
| EP-0921726-A1 | STOMACH-ACTION MOLLUSCICIDES | Young, Colin Leslie (AU) | 1999-06-16 | — | — | EP | disclosed |
| WO-1997026789-A1 | STOMACH-ACTION MOLLUSCICIDES | YOUNG COLIN LESLIE (AU) | 1997-07-31 | — | — | WO | disclosed |