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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | DPP4 | P27487 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1839603 | 0.94 | KMT2A (0.60) | KMT2ADPP4PPARGPPARAPDCD1 | |
| SCHEMBL328862 | 0.91 | DPP4 (0.60) | KMT2ADPP4PPARGPPARAPDCD1 | |
| SCHEMBL31261742 | 0.91 | DPP4 (0.60) | KMT2ADPP4PPARGPPARAPDCD1 | |
| SCHEMBL28790583 | 0.89 | KMT2A (0.55) | KMT2ADPP4PPARGPPARAPDCD1 | |
| Biphenyl SCHEMBL15329765 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 | |
| Water SCHEMBL9719797 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 | |
| SCHEMBL27304686 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 | |
| Ethane SCHEMBL3681665 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 | |
| SCHEMBL27779164 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 | |
| Ammonia Solution, Strong SCHEMBL27628949 | 0.89 | DPP4 (0.58) | KMT2ADPP4PPARGPPARAPDCD1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240115715-A1 | PHARMACEUTICAL COMPOSITIONS FOR VAPORIZATION AND INHALATION | GROW BIOTECH PLC (GB) | 2024-04-11 | — | — | US | disclosed |
| WO-2023161645-A2 | PHARMACEUTICAL COMPOSITIONS FOR VAPORIZATION AND INHALATION | GROW BIOTECH PLC (GB) | 2023-08-31 | — | — | WO | disclosed |
| EP-0593192-B1 | Chromogenic composition for use in pressure-sensitive record material | WIGGINS TEAPE GROUP LTD (GB) | 1997-03-26 | — | — | EP | disclosed |
| US-5231089-A | Anticonvulsants for nervous system disorders | UNIVERSITY OF FLORIDA (US) | 1993-07-27 | — | — | US | disclosed |
| WO-1993010794-A1 | COMPOSITION AND METHOD FOR IMPROVING ORAL BIOAVAILABILITY OF CARBAMAZEPINE | UNIVERSITY OF FLORIDA (US) | 1993-06-10 | — | — | WO | disclosed |
| US-5024998-A | Administering in aqueous solution with cyclodextrin derivative | UNIVERSITY OF FLORIDA (US) | 1991-06-18 | — | — | US | disclosed |
| US-5017566-A | Redox systems for brain-targeted drug delivery | UNIVERSITY OF FLORIDA (US) | 1991-05-21 | — | — | US | disclosed |