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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.59 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.59 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.59 |
| ▸ | KDM4C | Q9H3R0 | 8/20 | 0.58 |
| ▸ | KDM5A | P29375 | 7/20 | 0.58 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.58 |
| ▸ | KDM5C | P41229 | 1/20 | 0.55 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.55 |
| ▸ | KDM4A | O75164 | 2/20 | 0.53 |
| ▸ | GGPS1 | O95749 | 4/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.50 |
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9782786 | 1.00 | S1PR2 (0.59) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Acetic Acid SCHEMBL18237030 | 1.00 | S1PR2 (0.59) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Bicarbonate SCHEMBL17423696 | 0.93 | S1PR2 (0.61) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Bicarbonate SCHEMBL17423695 | 0.93 | S1PR2 (0.61) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Bicarbonate SCHEMBL27841131 | 0.93 | S1PR2 (0.61) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Acetic Acid SCHEMBL3416510 | 0.90 | KDM4C (0.55) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Acetic Acid SCHEMBL11345077 | 0.90 | KDM4C (0.50) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Oxalic Acid SCHEMBL8092558 | 0.86 | S1PR2 (0.55) | S1PR2S1PR1S1PR3S1PR5KDM4C | |
| Acetic Acid SCHEMBL3915385 | 0.86 | DNM1 (0.71) | DNM1PDE3A | |
| Dymanthine SCHEMBL1234152 | 0.86 | DNM1 (0.71) | DNM1PDE3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0935691-B1 | OPTICAL BRIGHTENING AGENT | COVION ORGANIC SEMICONDUCTORS (DE) | 2004-05-26 | — | — | EP | disclosed |
| US-6187224-B1 | ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM | AXIVA GMBH (DE) | 2001-02-13 | — | — | US | disclosed |
| EP-0935691-A1 | OPTICAL BRIGHTENING AGENT | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-08-18 | — | — | EP | disclosed |
| WO-1998018996-A1 | OPTICAL BRIGHTENING AGENT | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-05-07 | — | — | WO | disclosed |
| EP-0045279-B1 | AMINE OXIDE COMPOUNDS, PROCESSES FOR THEIR MANUFACTURE AND THEIR USE AS OPTICAL BRIGHTENERS | CIBA-GEIGY AG (CH) | 1988-06-01 | — | — | EP | disclosed |