Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenolsulfonphthalein. 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 | |
|---|---|---|---|---|
| ▸ | TYMS known ✓ | P04818 | 2/20 | 0.36 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Phenolsulfonphthalein SCHEMBL29357178 | 0.83 | MEN1 (1.00) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| Phenolsulfonphthalein SCHEMBL17836 | 0.83 | MEN1 (1.00) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| Phenolsulfonphthalein SCHEMBL1157401 | 0.81 | MEN1 (0.97) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| Phenolsulfonphthalein SCHEMBL29368063 | 0.80 | MEN1 (0.83) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| Phenolsulfonphthalein SCHEMBL222482 | 0.80 | MEN1 (0.83) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| Phenolphthalein SCHEMBL7763903 | 0.77 | MAPT (0.67) | MEN1LMNAKMT2AALDH1A1CYP3A4 | |
| SCHEMBL29411969 | 0.77 | ALDH1A1 (0.47) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| SCHEMBL16286113 | 0.72 | MEN1 (0.76) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| SCHEMBL14905228 | 0.71 | MEN1 (0.75) | MEN1LMNAKMT2ACYP1A2CYP2C9 | |
| SCHEMBL19697615 | 0.71 | MEN1 (0.75) | MEN1LMNAKMT2ACYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |