Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Mandelic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.95 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.95 |
| ▸ | CES2 | O00748 | 2/20 | 0.60 |
| ▸ | CES1 | P23141 | 2/20 | 0.60 |
| ▸ | SRC | P12931 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL4319572 | 1.00 | LMNA (0.95) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL4319576 | 1.00 | LMNA (0.95) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL19283553 | 1.00 | LMNA (0.95) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL7529578 | 0.97 | LMNA (0.90) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL7519719 | 0.97 | LMNA (0.90) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL165161 | 0.97 | LMNA (1.00) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL29777368 | 0.97 | LMNA (1.00) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL5313046 | 0.97 | LMNA (1.00) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL21647917 | 0.97 | LMNA (1.00) | LMNAMAPK1CES2CES1SRC | |
| Mandelic Acid SCHEMBL255601 | 0.97 | LMNA (1.00) | LMNAMAPK1CES2CES1SRC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027126-A2 | CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4-[3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL][1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-AMINE SALTS | Wyeth Holdings Corporation (US) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007136692-A2 | CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4- [3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-AMINE SALTS | WYETH HOLDINGS CORPORATION (US) | 2007-11-29 | — | — | WO | disclosed |