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 | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.85 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.60 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.60 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.60 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.60 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.60 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.60 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.60 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.60 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | PKLR | P30613 | 1/20 | 0.53 |
| ▸ | GALNT2 | Q10471 | 1/20 | 0.53 |
| ▸ | GALNT1 | Q10472 | 1/20 | 0.53 |
| ▸ | GALNT3 | Q14435 | 1/20 | 0.53 |
| ▸ | GALNT10 | Q86SR1 | 1/20 | 0.53 |
| ▸ | GALNT13 | Q8IUC8 | 1/20 | 0.53 |
| ▸ | GALNT6 | Q8NCL4 | 1/20 | 0.53 |
| ▸ | GALNT14 | Q96FL9 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7330918 | 0.92 | ACE (1.00) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL152329 | 0.78 | ACE (0.73) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL30451609 | 0.77 | ATP1A1 (1.00) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL1444851 | 0.77 | ATP1A1 (1.00) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL7227954 | 0.74 | ATP1A1 (0.79) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| 3,4-Dihydroxyxanthone SCHEMBL133422 | 0.73 | PTGS2 (1.00) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| 3,4-Dihydroxyxanthone SCHEMBL30668688 | 0.73 | PTGS2 (1.00) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL2318335 | 0.73 | MAOA (0.66) | ACEPKLRKDM4EMAPTCYP3A4 | |
| SCHEMBL28990262 | 0.72 | ACE (0.64) | ACEATP1A1ATP1B1ATP1A3ATP1B2 | |
| 4-Methyldaphnetin SCHEMBL1668524 | 0.72 | MCL1 (0.80) | ACEPKLRGALNT2GALNT1GALNT3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495005-A | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | NATIONAL SCIENCE COUNCIL (TW) | 1996-02-27 | — | — | US | disclosed |