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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 SCHEMBL25362304 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Acetic Acid SCHEMBL28324708 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Bicarbonate SCHEMBL4671806 | 0.93 | ALDH1A1 (0.81) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Bicarbonate SCHEMBL14811027 | 0.93 | ALDH1A1 (0.81) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Oxalic Acid SCHEMBL11785204 | 0.91 | ALDH1A1 (0.77) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Urea SCHEMBL28073648 | 0.89 | ALDH1A1 (0.74) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Carbamic Acid SCHEMBL30426064 | 0.89 | ALDH1A1 (0.74) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Acetic Acid SCHEMBL8986297 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL2647148 | 0.88 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL5014268 | 0.88 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745516-B2 | Composition of polyimide and sterically-hindered hydrophobic epoxy | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-06-29 | — | — | US | claimed |
| CN-101283048-A | Compositions comprising polyimides and hydrophobic epoxies and methods relating thereto | DU PONT (US) | 2008-10-08 | — | — | CN | claimed |
| EP-1943311-A1 | COMPOSITIONS COMPRISING POLYIMIDE AND HYDROPHOBIC EPOXY, AND METHODS RELATING THERETO | E.I.Du pont de nemours and company (US) | 2008-07-16 | — | — | EP | claimed |
| US-20070244267-A1 | Hydrophobic crosslinkable compositions for electronic applications | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-10-18 | — | — | US | claimed |
| EP-1845130-A2 | Hydrophobic crosslinkable compositions for electronic applications | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2007-10-17 | — | — | EP | claimed |
| CN-101054458-A | Hydrophobic crosslinkable compositions for electronic applications | DU PONT (US) | 2007-10-17 | — | — | CN | claimed |
| WO-2007047384-A1 | COMPOSITIONS COMPRISING POLYIMIDE AND HYDROPHOBIC EPOXY, AND METHODS RELATING THERETO | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-04-26 | — | — | WO | claimed |
| US-20070083017-A1 | Compositions comprising polyimide and hydrophobic epoxy, and methods relating thereto | CDA PROCESSING LIMITED LIABILITY COMPANY | 2007-04-12 | — | — | US | claimed |
| EP-0319814-B1 | METHOD OF PREPARING ASYMMETRICAL DIHYDROPYRIDINES | BAYER AG (DE) | 1992-09-16 | — | — | EP | claimed |
| US-4904789-A | Process for the preparation of unsymmetrical dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | claimed |
| JP-1197470-A | — | — | None | — | — | JP | disclosed |
| EP-2798010-A1 | MULTI-COMPONENT TYPE CURABLE SILICONE RUBBER COMPOSITION, MATERIAL FOR ELECTRONIC PARTS USING SUCH, AND SOLAR CELL MODULE | Dow Corning Toray Co., Ltd. (JP) | 2014-11-05 | — | — | EP | disclosed |
| US-20140238471-A1 | Multi-Component Type Curable Silicone Rubber Composition, Material For Electronic Parts Using Such, And Solar Cell Module | DOW CORNING TORAY CO LTD (JP) | 2014-08-28 | — | — | US | disclosed |
| WO-2013100175-A1 | MULTI-COMPONENT TYPE CURABLE SILICONE RUBBER COMPOSITION, MATERIAL FOR ELECTRONIC PARTS USING SUCH, AND SOLAR CELL MODULE | DOW CORNING TORAY CO., LTD. (JP) | 2013-07-04 | — | — | WO | disclosed |
| EP-2092807-B1 | COMPOSITE ORGANIC ENCAPSULANTS | CDA PROC LTD LIABILITY COMPANY (US) | 2013-04-17 | — | — | EP | disclosed |
| US-4904361-A | Electrodeposition coating composition | KANSAI PAINT CO., LTD. (JP) | 1990-02-27 | — | — | US | disclosed |
| JP-H01197470-A | PREPARATION OF UNSYMMETRICAL DIHYDROPYRIDINES | BAYER AG | 1989-08-09 | — | — | JP | disclosed |
| EP-0319814-A2 | Method of preparing asymmetrical dihydropyridines | BAYER AG (DE) | 1989-06-14 | — | — | EP | disclosed |
| US-4836958-A | SURFACTANT | CIBA-GEIGY CORPORATION (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0256980-A2 | Fluorinated cationic compounds | CIBA-GEIGY AG (CH) | 1988-02-24 | — | — | EP | disclosed |