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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.47 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL121153 | 0.92 | LMNA (0.53) | LMNAHPGDHIF1AHSD17B10POLB | |
| Ammonia Solution, Strong SCHEMBL1924833 | 0.90 | LMNA (0.51) | LMNAHPGDHIF1AHSD17B10POLB | |
| Water SCHEMBL3002925 | 0.90 | LMNA (0.51) | LMNAHPGDHIF1AHSD17B10POLB | |
| Hydrochloric Acid SCHEMBL5858440 | 0.90 | LMNA (0.51) | LMNAHPGDHIF1AHSD17B10POLB | |
| Ethylene Glycol SCHEMBL6331832 | 0.85 | LMNA (0.51) | LMNAHPGDHIF1AHSD17B10POLB | |
| Ethylenediamine SCHEMBL8311256 | 0.84 | LMNA (0.50) | LMNAHPGDHIF1AHSD17B10POLB | |
| Isopropylamine SCHEMBL2350745 | 0.84 | LMNA (0.46) | LMNAHPGDHIF1AHSD17B10POLB | |
| Pyridine SCHEMBL126094 | 0.83 | ESR2 (0.49) | LMNAHPGDHIF1AHSD17B10POLB | |
| Hydrazinecarboxamide SCHEMBL5873289 | 0.83 | LMNA (0.46) | LMNAHPGDHIF1AHSD17B10POLB | |
| 1,4-Butanediol SCHEMBL8980142 | 0.82 | LMNA (0.49) | LMNAHPGDHIF1AHSD17B10POLB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2305624-B1 | Self-degradable explosive device | MAXAMCORP HOLDING SL (ES) | 2017-09-27 | — | — | EP | claimed |
| US-8585841-B2 | Systems and methods for chemical and/or mechanical remediation of nitro compounds and nitrate esters | MAXAMCORP HOLDING S.L. (ES) | 2013-11-19 | — | — | US | claimed |
| EP-2445852-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | Maxamcorp Holding, S.L. (ES) | 2012-05-02 | — | — | EP | claimed |
| EP-2305624-A1 | Self-degradable explosive formulations | Maxamcorp Holding, S.L. (ES) | 2011-04-06 | — | — | EP | claimed |
| US-20110041718-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | MAXAMCORP HOLDING S.L. (ES) | 2011-02-24 | — | — | US | claimed |
| WO-2010149750-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | MAXAMCORP HOLDING S.L. (ES) | 2010-12-29 | — | — | WO | claimed |
| EP-2305624-B1 | Self-degradable explosive device | MAXAMCORP HOLDING SL (ES) | 2017-09-27 | — | — | EP | disclosed |
| US-8585841-B2 | Systems and methods for chemical and/or mechanical remediation of nitro compounds and nitrate esters | MAXAMCORP HOLDING S.L. (ES) | 2013-11-19 | — | — | US | disclosed |
| EP-2445852-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | Maxamcorp Holding, S.L. (ES) | 2012-05-02 | — | — | EP | disclosed |
| EP-2305624-A1 | Self-degradable explosive formulations | Maxamcorp Holding, S.L. (ES) | 2011-04-06 | — | — | EP | disclosed |
| US-20110041718-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | MAXAMCORP HOLDING S.L. (ES) | 2011-02-24 | — | — | US | disclosed |
| WO-2010149750-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | MAXAMCORP HOLDING S.L. (ES) | 2010-12-29 | — | — | WO | disclosed |
| US-6294201-B1 | CORE, COMPRISING 15 TO 35% IN WEIGHT OF A PHARMACEUTICALLY ACTIVE SUBSTANCE; 20 TO 50% IN WEIGHT OF XANTHAN; 10 TO 30% IN WEIGHT OF A VINYL PYRROLIDONE--VINYL ACETATE COPOLYMER | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-25 | — | — | US | disclosed |