Biphenyl

Biphenyl

SCHEMBL31301151

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Pd+2].c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

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Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
PTGS2 P35354 6/20 0.52
ALDH1A1 P00352 2/20 0.50
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42
KEAP1 Q14145 1/20 0.42
GAA P10253 1/20 0.42

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
Biphenyl SCHEMBL134068 0.85 ALDH1A1 (0.60) CA1CA2CA9CA12PTGS2
SCHEMBL11051151 0.80 PTGS2 (0.46) CA1CA2CA9CA12PTGS2
Sulfuric Acid SCHEMBL7040609 0.80 CA2 (0.54) CA1CA2CA9CA12PTGS2
Biphenyl SCHEMBL21462355 0.80 ALDH1A1 (0.53) CA1CA2CA9CA12PTGS2
Biphenyl SCHEMBL27509992 0.80 CA2 (0.61) CA1CA2CA9CA12PTGS2
SCHEMBL8770202 0.79 PTGS2 (0.79) CA1CA2CA9CA12PTGS2
SCHEMBL1687503 0.79 PTGS2 (0.79) CA1CA2CA9CA12PTGS2
SCHEMBL18342129 0.79 ALDH1A1 (0.65) CA1CA2CA9CA12PTGS2
Biphenyl SCHEMBL10325169 0.78 CA2 (0.65) CA1CA2CA9CA12PTGS2
SCHEMBL27483186 0.78 ALDH1A1 (0.50) CA1CA2CA9CA12PTGS2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175681-B Use of sGC activators for the treatment of ophthalmic diseases 拜耳公司 2024-10-25 CN disclosed