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 | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 9/20 | 0.47 |
| ▸ | KDM5A | P29375 | 7/20 | 0.47 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.41 |
| ▸ | ARG2 | P78540 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.37 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL3412690 | 0.86 | FFAR3 (0.56) | KDM4CKDM5AFFAR3ARG1ARG2 | |
| Acetic Acid SCHEMBL3416510 | 0.83 | KDM4C (0.55) | KDM4CKDM5ACA12CA9KDM5C | |
| Acetic Acid SCHEMBL699535 | 0.82 | FFAR3 (0.41) | KDM4CKDM5AFFAR3LCKFYN | |
| Butyric Acid SCHEMBL3412852 | 0.81 | FFAR3 (0.65) | KDM4CKDM5AFFAR3KDM5CKDM5B | |
| SCHEMBL3205134 | 0.81 | KDM4C (0.61) | KDM4CKDM5AFFAR3KDM5CKDM5B | |
| SCHEMBL129815 | 0.80 | — | — | |
| Acetic Acid SCHEMBL14782558 | 0.80 | FFAR3 (0.39) | KDM4CKDM5AFFAR3LCKFYN | |
| Acetic Acid SCHEMBL5548279 | 0.80 | FFAR3 (0.39) | KDM4CKDM5AFFAR3LCKFYN | |
| Acetic Acid SCHEMBL30624443 | 0.80 | FFAR3 (0.39) | KDM4CKDM5AFFAR3LCKFYN | |
| Acetic Acid SCHEMBL18237030 | 0.79 | S1PR2 (0.59) | KDM4CKDM5AKDM5CKDM5BPHF8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2265617-B1 | SOLVENTS | BIONIQS LTD (GB) | 2014-07-02 | — | — | EP | claimed |
| EP-2265617-A1 | SOLVENTS | Bioniqs Limited (GB) | 2010-12-29 | — | — | EP | claimed |
| WO-2009034329-A1 | SOLVENTS | BIONIQS LIMITED (GB) | 2009-03-19 | — | — | WO | claimed |
| EP-2265617-B1 | SOLVENTS | BIONIQS LTD (GB) | 2014-07-02 | — | — | EP | disclosed |
| EP-2265617-A1 | SOLVENTS | Bioniqs Limited (GB) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009034329-A1 | SOLVENTS | BIONIQS LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |