Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.37 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31107078 | 1.00 | HPGD (0.47) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| Water SCHEMBL7529567 | 0.98 | HPGD (0.45) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| Potassium Ion SCHEMBL7522929 | 0.96 | GABRA1 (0.45) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL11349953 | 0.78 | LMNA (0.54) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL974064 | 0.78 | LMNA (0.54) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL31107080 | 0.78 | LMNA (0.54) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL974062 | 0.78 | LMNA (0.54) | HPGDKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL9191810 | 0.78 | CA2 (0.41) | HPGDKDM4EALDH1A1TSHRCA2 | |
| SCHEMBL2041250 | 0.78 | CASP1 (0.47) | ALDH1A1CA2CA4POLBNPC1 | |
| SCHEMBL8103071 | 0.77 | GABRA1 (0.46) | HPGDKDM4EALDH1A1GABRA1GABRB2 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0864557-B1 | Industrial process for the continuous production of sodium orthohydroxymandelate | CLARIANT FRANCE SA (FR) | 2002-01-30 | — | — | EP | claimed |
| EP-0767162-B1 | Sodium orthohydroxylate-phenol-water complexes, process for preparing same and application for isolation of sodium orthohydroxymandelate | CLARIANT FRANCE SA (FR) | 1999-12-08 | — | — | EP | claimed |
| US-5914429-A | CONDENSING PHENOL WITH GLYOXYLIC ACID IN AQUEOUS SOLUTION IN PRESENCE OF TERTIARY AMINE AND TRIVALENT METAL CATALYST, CARRYING OUT PROCESS CONTINUOUSLY IN TWO REACTORS AND TWO MIXER-DECANTERS INSTALLED IN SERIES, WITH RECYCLING | CLARIANT (FRANCE) S. A. (FR) | 1999-06-22 | — | — | US | claimed |
| US-5750775-A | Sodium orthohydroxymandelate/phenol/water complex, preparation process and use for isolation of sodium orthohydroxymandelate | SOCIETE FRANCAISE HOECHST (FR) | 1998-05-12 | — | — | US | claimed |
| EP-0556084-B1 | Method of preparation of orthohydroxy mandelic acid and its salts | HOECHST FRANCE (FR) | 1996-04-03 | — | — | EP | claimed |
| US-5354897-A | Reacting glyoxylic acid with phenol in the presence of a tertiary amine and catalytic quantities of a trivalent metal compound | SOCIETE FRANCAISE HOECHST (FR) | 1994-10-11 | — | — | US | claimed |
| JP-10259158-A | — | — | None | — | — | JP | disclosed |
| CN-1119312-C | Industrial continuous process for preparing o-sodium hydroxy-mandelate | CLARIANT FRANCE SA (FR) | 2003-08-27 | — | — | CN | disclosed |
| US-6359172-B1 | Method of preparing 2- and 4-hydroxymandelic acid | GERARD KESSELS SOCIEDAD ANONIMA, S.A. (ES) | 2002-03-19 | — | — | US | disclosed |
| EP-0987245-B1 | A method of preparing 2- and 4-hydroxymandelic acid | GERARD KESSELS S A (ES) | 2002-03-13 | — | — | EP | disclosed |
| EP-0864557-B1 | Industrial process for the continuous production of sodium orthohydroxymandelate | CLARIANT FRANCE SA (FR) | 2002-01-30 | — | — | EP | disclosed |
| EP-0987245-A1 | A method of preparing 2- and 4-hydroxymandelic acid | Gerard Kessels S.A. (ES) | 2000-03-22 | — | — | EP | disclosed |
| EP-0767162-B1 | Sodium orthohydroxylate-phenol-water complexes, process for preparing same and application for isolation of sodium orthohydroxymandelate | CLARIANT FRANCE SA (FR) | 1999-12-08 | — | — | EP | disclosed |
| US-5750775-A | Sodium orthohydroxymandelate/phenol/water complex, preparation process and use for isolation of sodium orthohydroxymandelate | SOCIETE FRANCAISE HOECHST (FR) | 1998-05-12 | — | — | US | disclosed |
| US-5750775-A | Sodium orthohydroxymandelate/phenol/water complex, preparation process and use for isolation of sodium orthohydroxymandelate | SOCIETE FRANCAISE HOECHST (FR) | 1998-05-12 | — | — | US | disclosed |
| EP-0767162-A1 | Sodium orthohydroxylate-phenol-water complexes, process for preparing same and application for isolation of sodium orthohydroxymandelate | SOCIETE FRANCAISE HOECHST Société anonyme dite: (FR) | 1997-04-09 | — | — | EP | disclosed |
| EP-0767162-A1 | Sodium orthohydroxylate-phenol-water complexes, process for preparing same and application for isolation of sodium orthohydroxymandelate | SOCIETE FRANCAISE HOECHST Société anonyme dite: (FR) | 1997-04-09 | — | — | EP | disclosed |
| US-5354897-A | Reacting glyoxylic acid with phenol in the presence of a tertiary amine and catalytic quantities of a trivalent metal compound | SOCIETE FRANCAISE HOECHST (FR) | 1994-10-11 | — | — | US | disclosed |
| WO-1994014746-A1 | PROCESS FOR SEPARATING THE ORTHO- AND PARA- ISOMERS OF HYDROXYMANDELIC ACID OR A SALT THEREOF, THE ISOMERS THUS OBTAINED, THE USE OF THE ORTHO-ISOMER FOR THE PREPARATION OF EDDHA | TECHNISCHE UNIVERSITEIT DELFT (NL) | 1994-07-07 | — | — | WO | disclosed |
| US-5306833-A | Preparation process for arylacetic acids and their alkali metal salts | SOCIETE FRANCAISE HOECHST (FR) | 1994-04-26 | — | — | US | disclosed |