Rabeprazole

Rabeprazole

SCHEMBL28429280

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C.O=P(O)(O)O.[NaH]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Rabeprazole. 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
▸ OPRM1 known ✓ P35372 2/20 0.58
▸ ADRA1A known ✓ P35348 1/20 0.58
▸ KCNH2 known ✓ Q12809 1/20 0.58
▸ OPRD1 known ✓ P41143 1/20 0.41
▸ OPRK1 known ✓ P41145 1/20 0.41
▸ KMT2A Q03164 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ WDR5 P61964 4/20 0.58
▸ LMNA P02545 4/20 0.58
▸ ENGASE Q8NFI3 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ DDAH1 O94760 2/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ TBXA2R P21731 2/20 0.58
▸ NPY1R P25929 2/20 0.58
▸ ADORA1 P30542 2/20 0.58
▸ HTR3A P46098 2/20 0.58
▸ FASN P49327 2/20 0.58

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
Rabeprazole SCHEMBL2998947 0.96 KMT2A (0.60) KMT2AALDH1A1CYP2C9WDR5LMNA
Rabeprazole SCHEMBL140495 0.96 KMT2A (0.60) KMT2AALDH1A1CYP2C9WDR5LMNA
Dexrabeprazole SCHEMBL22189141 0.96 KMT2A (0.60) KMT2AALDH1A1CYP2C9WDR5LMNA
Rabeprazole SCHEMBL491358 0.96 KMT2A (0.60) KMT2AALDH1A1CYP2C9WDR5LMNA
Rabeprazole SCHEMBL2998946 0.96 KMT2A (0.60) KMT2AALDH1A1CYP2C9WDR5LMNA
Rabeprazole SCHEMBL27964348 0.95 KMT2A (0.59) KMT2AALDH1A1CYP2C9WDR5LMNA
Rabeprazole SCHEMBL23337 0.95 KMT2A (0.61) KMT2AALDH1A1CYP2C9WDR5LMNA
Dexrabeprazole SCHEMBL30945135 0.95 KMT2A (0.61) KMT2AALDH1A1CYP2C9WDR5LMNA
Dexrabeprazole SCHEMBL30019061 0.95 KMT2A (0.61) KMT2AALDH1A1CYP2C9WDR5LMNA
Dexrabeprazole SCHEMBL4946138 0.95 KMT2A (0.61) KMT2AALDH1A1CYP2C9WDR5LMNA

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-111417730-A Diagnostic method 托雷莫治疗股份公司 2020-07-14 — — CN claimed
CN-111417730-A Diagnostic method 托雷莫治疗股份公司 2020-07-14 — — CN disclosed
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