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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
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 SCHEMBL4207526 | 0.98 | CA2 (0.52) | CA2MAPK1ACE2CA1TSHR | |
| Acetic Acid SCHEMBL9623423 | 0.95 | ACE2 (0.53) | CA2MAPK1ACE2CA1TSHR | |
| Acetic Acid SCHEMBL4809786 | 0.91 | ACE2 (0.59) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL885152 | 0.91 | CA2 (0.54) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL28584877 | 0.91 | CA2 (0.54) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL28895715 | 0.91 | CA2 (0.54) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL216624 | 0.91 | CA2 (0.54) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL973799 | 0.88 | CA2 (0.52) | CA2MAPK1ACE2CA1MAPT | |
| Bicarbonate SCHEMBL9230330 | 0.88 | CA2 (0.52) | CA2MAPK1ACE2CA1MAPT | |
| Propionic Acid SCHEMBL28527697 | 0.86 | CA2 (0.50) | CA2MAPK1ACE2CA1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003089576-A2 | ANTICANCER ANTHRAQUINONES AND METHOD OF USE THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2003-10-30 | — | — | WO | disclosed |
| WO-2003089577-A2 | ANTIHELMINTHIC ANTHRAQUINONES AND METHOD OF USE THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2003-10-30 | — | — | WO | disclosed |