Phenolphthalein

Phenolphthalein

SCHEMBL7763903

O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Phenolphthalein. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS known ✓ P04818 2/20 0.67
ESR2 known ✓ Q92731 1/20 0.67
DHFR known ✓ P00374 2/20 0.43
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GPR55 Q9Y2T6 2/20 0.67
ALDH1A1 P00352 1/20 0.67
ESR1 P03372 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
HSP90AA1 P07900 2/20 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.

Compoundsimilaritytop predictedshared targets
Fluorescein SCHEMBL1683204 0.84 FTO (0.72) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL10893397 0.82 MAPT (0.88) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL28196770 0.82 MAPT (0.93) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL6139696 0.82 MAPT (1.00) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL27670 0.82 MAPT (1.00) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL29362413 0.82 MAPT (1.00) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL676259 0.81 MAPT (0.85) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL11882867 0.80 MAPT (0.90) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL23929043 0.80 MAPT (0.97) MAPTMEN1KMT2ATDP1LMNA
Phenolphthalein SCHEMBL4749522 0.80 MAPT (0.97) MAPTMEN1KMT2ATDP1LMNA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799896-B1 Reagent test strip for determination of blood glucose LIFESCAN INC (US) 2001-09-12 EP claimed
EP-0799896-A2 Reagent test strip for determination of blood glucose LIFESCAN, INC. (US) 1997-10-08 EP claimed
US-5350694-A Composition method and device for measuring the divalent cation concentration or specific gravity of a test sample MILES INC. (US) 1994-09-27 US claimed
EP-0799896-B1 Reagent test strip for determination of blood glucose LIFESCAN INC (US) 2001-09-12 EP disclosed
US-5972294-A USED TO MEASURE GLUCOSE CONCENTRATION IN WHOLE BLOOD SAMPLES IN PRESENCE OF OPTICALLY VISIBLE HEMOGLOBIN; COLORIMETRIC MEASUREMENT LIFESCAN, INC. (US) 1999-10-26 US disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed
EP-0799896-A2 Reagent test strip for determination of blood glucose LIFESCAN, INC. (US) 1997-10-08 EP disclosed