Taurine

Taurine

SCHEMBL28338183

NCCS(=O)(=O)O.[Ca+2].[Cl-].[Cl-]

nearest known ligand 0.88

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Taurine. 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
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ LMNA P02545 2/20 0.88
▸ BLM P54132 2/20 0.88
▸ SLC6A6 P31641 1/20 0.88
▸ CYP2C19 P33261 1/20 0.88
▸ APP P05067 1/20 0.60
▸ PDE4A P27815 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ PMP22 Q01453 2/20 0.32

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
Taurine SCHEMBL20296865 0.94 — —
Taurine SCHEMBL23068 0.94 — —
Taurine SCHEMBL42632 0.94 BLM (1.00) LMNABLMSLC6A6CYP2C19APP
Taurine SCHEMBL30191395 0.94 — —
Taurine SCHEMBL30179154 0.94 — —
Taurine SCHEMBL688316 0.90 — —
Taurine SCHEMBL2422017 0.90 — —
Taurine SCHEMBL1100954 0.90 — —
Taurine SCHEMBL8052521 0.90 BLM (0.93) LMNABLMSLC6A6CYP2C19APP
Taurine SCHEMBL15194490 0.90 — —

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-110452137-A The chelated calcium method of taurine is prepared with taurine and calcium chloride UNIV BEIJING CHEM TECH 2019-11-15 — — CN disclosed
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