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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
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 SCHEMBL9300914 | 0.97 | CA1 (0.50) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL7085339 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL927347 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMLMNA | |
| Acetic Acid SCHEMBL245760 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL9988251 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL11464429 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMLMNA | |
| Acetic Acid SCHEMBL9988255 | 0.97 | CA1 (0.57) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL6933631 | 0.93 | CA1 (0.53) | CA1CA4PAOXBLMMEN1 | |
| Acetic Acid SCHEMBL3474894 | 0.93 | CA1 (0.53) | CA1CA4PAOXBLMLMNA | |
| Acetic Acid SCHEMBL468685 | 0.93 | CA1 (0.60) | CA1CA4PAOXBLMMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113747946-B | Therapeutic agent for flavivirus infection | 日本纽翱医药股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-113747946-A | Therapeutic agent for flavivirus infection | 日本纽翱医药股份有限公司 | 2021-12-03 | — | — | CN | disclosed |
| US-9127125-B2 | Process for preparing polyurethane-polyacrylate hybrid dispersions | BASF SE (DE) | 2015-09-08 | — | — | US | disclosed |
| US-20130281636-A1 | PROCESS FOR PREPARING POLYURETHANE-POLYACRYLATE HYBRID DISPERSIONS | BASF SE (DE) | 2013-10-24 | — | — | US | disclosed |
| US-6065245-A | Integrated aquaculture-hydroponics systems: nutrient dynamics and designer diet development | SEAWRIGHT DAMON E (US) | 2000-05-23 | — | — | US | disclosed |