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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.61 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.61 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.61 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.53 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
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 SCHEMBL727880 | 1.00 | CA2 (0.74) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL593706 | 0.95 | CA2 (0.81) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28721695 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL4623602 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Water SCHEMBL8674580 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL11662108 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL14502406 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL5363866 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28705826 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27512663 | 0.92 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997036958-A1 | GRAFTED CROSS-LINKABLE POLYOLEFIN THERMOPLASTIC POWDER COMPOSITION HAVING PROPERTIES OF ELASTICITY AND FLEXIBILITY | REYDEL S.A. (FR) | 1997-10-09 | — | — | WO | claimed |
| US-6399708-B2 | POWDERS; BULK POLYMERIZATION | VISTEON SYSTEMES INTERIEURS S.A.S. (FR) | 2002-06-04 | — | — | US | disclosed |
| US-6395839-B2 | Grafted and crosslinkable pulverulent thermoplastic polyolefin composition which has elasticity and flexibility properties | VISTEON SYSTEMES INTERIEURS S.A.S. (FR) | 2002-05-28 | — | — | US | disclosed |
| US-20020019487-A1 | GRAFTED AND CROSSLINKABLE PULVERULENT THERMOPLASTIC POLYOLEFIN COMPOSITION WHICH HAS ELASTICITY AND FLEXIBILITY PROPERTIES | JPMORGAN CHASE BANK | 2002-02-14 | — | — | US | disclosed |
| US-20010011784-A1 | Grafted and crosslinkable pulverulent thermoplastic polyolefin composition which has elasticity and flexibility properties | PLASTIC OMNIUM AUTO INTERIEUR (FR) | 2001-08-09 | — | — | US | disclosed |
| WO-1997036958-A1 | GRAFTED CROSS-LINKABLE POLYOLEFIN THERMOPLASTIC POWDER COMPOSITION HAVING PROPERTIES OF ELASTICITY AND FLEXIBILITY | REYDEL S.A. (FR) | 1997-10-09 | — | — | WO | disclosed |
| US-3980597-A | POLYURETHANE PREPOLYMER, DEHYDRATED AND DEACIDIFIED BITUMENS | GUARD POLYMER & CHEMICAL, INC. (US) | 1976-09-14 | — | — | US | disclosed |