Taurocholate Sulfate

Taurocholate Sulfate

SCHEMBL31402018

C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.83

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.81
SLC10A1 Q14973 5/20 0.81
SLC10A2 Q12908 4/20 0.81
TSHR P16473 1/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 1/20 0.70
BLM P54132 1/20 0.70
ABCC4 O15439 3/20 0.68
NR1H4 Q96RI1 2/20 0.66
ABCB11 O95342 2/20 0.66
PLA2G1B P04054 1/20 0.66
ENPP2 Q13822 1/20 0.66
KMT2A Q03164 1/20 0.61
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59

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
Taurocholate Sulfate SCHEMBL28445221 1.00 GPBAR1 (0.81) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurochenodeoxycholate Sulfate SCHEMBL1653685 0.91 SLC10A1 (0.81) GPBAR1SLC10A1SLC10A2ABCC4NR1H4
Taurochenodeoxycholate Sulfate SCHEMBL29428419 0.91 SLC10A1 (0.81) GPBAR1SLC10A1SLC10A2ABCC4NR1H4
Taurocholic Acid SCHEMBL13851619 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL20493965 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL24001492 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL10696857 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL22852508 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL5083946 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A
Taurocholic Acid SCHEMBL15292871 0.90 GPBAR1 (1.00) GPBAR1SLC10A1SLC10A2TSHRRAB9A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115128257-B Metabolism marker for predicting liver cancer incidence risk and application thereof 南京医科大学 2025-02-18 CN claimed
CN-115128257-B Metabolism marker for predicting liver cancer incidence risk and application thereof 南京医科大学 2025-02-18 CN disclosed