Ilaprazole

Ilaprazole

SCHEMBL8470106

COc1ccnc(C[S+]([O-])c2nc3cc(-n4cccc4)ccc3[nH]2)c1C.[NaH]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP4AATP4B

The experimentally established mechanism targets of Ilaprazole. 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
ATP4A known ✓ P20648 7/20 0.36
ATP4B known ✓ P51164 7/20 0.36
ATP1A1 P05023 7/20 0.36
ATP1B1 P05026 7/20 0.36
ATP1A3 P13637 7/20 0.36
ATP1B2 P14415 7/20 0.36
ATP1A2 P50993 7/20 0.36
ATP1B3 P54709 7/20 0.36
FXYD2 P54710 7/20 0.36
ATP1A4 Q13733 7/20 0.36
CYP2C9 P11712 4/20 0.32
KMT2A Q03164 4/20 0.32
WDR5 P61964 3/20 0.32
ENGASE Q8NFI3 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
DDAH1 O94760 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
MAPT P10636 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
Ilaprazole SCHEMBL23988478 0.99 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL29364741 0.99 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL22734706 0.99 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL1179039 0.99 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL22734704 0.99 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL14022064 0.93 ATP1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL14022063 0.93 ATP1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL1652136 0.92 ATP4A (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL29684589 0.91 ATP4A (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL24571936 0.91 CYP2C9 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696281-B1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL YANG PHARM CO LTD (KR) 1999-05-12 EP disclosed
EP-0696281-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1996-02-14 EP disclosed
WO-1995023140-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1995-08-31 WO disclosed