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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.55 |
| ▸ | PPARA | Q07869 | 4/20 | 0.55 |
| ▸ | TERT | O14746 | 3/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.55 |
| ▸ | PPARG | P37231 | 3/20 | 0.55 |
| ▸ | PPARD | Q03181 | 3/20 | 0.55 |
| ▸ | TOP1 | P11387 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | BLM | P54132 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | FABP4 | P15090 | 2/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 SCHEMBL8337241 | 1.00 | EPHX2 (0.55) | EPHX2PPARATERTPTPN1PPARG | |
| SCHEMBL20017950 | 0.89 | TSHR (0.59) | EPHX2PPARAFAAH | |
| Acetic Acid SCHEMBL5538729 | 0.89 | PAOX (0.63) | PPARAPPARGPPARD | |
| SCHEMBL6903264 | 0.89 | TSHR (0.59) | EPHX2PPARAFAAH | |
| Acetic Acid SCHEMBL27957523 | 0.89 | PAOX (0.63) | PPARAPPARGPPARD | |
| SCHEMBL6896933 | 0.89 | TSHR (0.59) | EPHX2PPARAFAAH | |
| SCHEMBL9212841 | 0.89 | TSHR (0.59) | EPHX2PPARAFAAH | |
| Acetic Acid SCHEMBL28660700 | 0.88 | SLC6A5 (0.60) | EPHX2PPARATERTPTPN1PPARG | |
| Ammonia Solution, Strong SCHEMBL962398 | 0.87 | ALDH1A1 (0.56) | EPHX2PPARAFAAH | |
| Acetic Acid SCHEMBL6713985 | 0.85 | PAOX (0.55) | EPHX2PPARATERTPTPN1PPARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937695-A1 | Thickened emulsion compositions for use as propellants and explosives | The Lubrizol Corporation (US) | 1999-08-25 | — | — | EP | disclosed |
| US-5936194-A | OXIDIZER, OIL FUEL, EMULSIFIER, CARBOXY CONTAINING POLYMER THICKENER, SODIUM THIOCYANATE OR THIOUREA PROMOTER | THE LUBRIZOL CORPORATION (US) | 1999-08-10 | — | — | US | disclosed |
| EP-0217194-A1 | Microcellular composite energetic materials and method for making same | Megabar Corporation (US) | 1987-04-08 | — | — | EP | disclosed |
| US-4632714-A | STORAGE STABILITY; WATER PROOFING; MAINTAINING CONTINUOUS PHASE UPON SOLIDIFICATION OF CASTABLE ANHYDROUS EMULSION | MEGABAR CORPORATION (US) | 1986-12-30 | — | — | US | disclosed |