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 | 0.56 |
| ▸ | CA6 | P23280 | 5/20 | 0.56 |
| ▸ | CA7 | P43166 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA4 | P22748 | 4/20 | 0.53 |
| ▸ | CA5A | P35218 | 4/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.50 |
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 SCHEMBL11455368 | 1.00 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL27525013 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL9100273 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL9716193 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL863599 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL1565417 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL18288 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL3657736 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL6244253 | 0.94 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL202712 | 0.94 | CA12 (0.56) | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104127889-A | Manganese gadolinium heterozygous bimetallic paramagnetic nanocolloid and application in preparation of magnetic resonance imaging contrast material thereof | UNIV HARBIN MEDICAL | 2014-11-05 | — | — | CN | claimed |
| CN-107409879-A | Colored rice landscape planting method | 北京林大林业科技股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105963720-A | Aspartate-leucine copolymer modified paramagnetism metal complex as well as preparation method and application thereof | 中国科学院长春应用化学研究所 | 2016-09-28 | — | — | CN | disclosed |
| CN-104127889-A | Manganese gadolinium heterozygous bimetallic paramagnetic nanocolloid and application in preparation of magnetic resonance imaging contrast material thereof | UNIV HARBIN MEDICAL | 2014-11-05 | — | — | CN | disclosed |
| CN-102366632-A | Paramagnetic metal complex functionalized fluorogold nano-cluster magnetic resonance and fluorescence imaging contrast agent | UNIV CHANGCHUN TECHNOLOGY | 2012-03-07 | — | — | CN | disclosed |
| CN-101002950-B | Magnetic resonace imaging contrast medium with glycyrrhizic acid as carrier | CHANGCHUN APPLIED CHEMISTRY | 2011-01-19 | — | — | CN | disclosed |
| CN-1966088-B | Magnetic resonance imaging contrast using arabinogalactan as carrier | CHANGCHUN APPLIED CHEMISTRY | 2010-09-29 | — | — | CN | disclosed |
| CN-100431614-C | Paramagnetic metal coordination compound magnetic resonance imaging contrast medium with narrow-leaved oleaster polyose modification | CHANGCHUN APPLIED CHEMISTRY (CN) | 2008-11-12 | — | — | CN | disclosed |
| CN-101002950-A | Magnetic resonace imaging contrast medium with glycyrrhizic acid as carrier | CHANGCHUN INST OF CHEMISTRY C (CN) | 2007-07-25 | — | — | CN | disclosed |
| CN-1966088-A | Magnetic resonance imaging contrast using arabinogalactan as carrier | CHANGCHUN APPLIED CHEMISTRY (CN) | 2007-05-23 | — | — | CN | disclosed |
| CN-1895677-A | Paramagnetic metal coordination compound magnetic resonance imaging contrast medium with narrow-leaved oleaster polyose modification | CHANGCHUN APPLIED CHEMISTRY (CN) | 2007-01-17 | — | — | CN | disclosed |
| US-20030120202-A1 | Magnetic extracorporeal circuit for removal of medical agents | GORDON, LUCAS S. | 2003-06-26 | — | — | US | disclosed |
| EP-0861066-A1 | IMPROVED PSEUDOCATALASE COMPOSITION | STIEFEL LABORATORIES, INC. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997017943-A1 | IMPROVED PSEUDOCATALASE COMPOSITION | STIEFEL LABORATORIES, INC. (US) | 1997-05-22 | — | — | WO | disclosed |