SCHEMBL5763871 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABCC8 ACE ADORA1 ADORA2A ADORA2B ADORA3 ALDH5A1 ALOX5 ALOX5AP ATP4A ATP4B BRAF CA1 CA12 CA2 CA4 CYSLTR1 DHFR DPEP1 EDNRA EDNRB ESR2 F10 FDPS FGF1 GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART GNRHR GSC1 HMGCR IMPDH1 IMPDH2 KCNJ11 LY96 NOD2 NR3C1 NS3 NS4A NS5b P2RY1 P2RY12 P2RY2 P2RY4 P2RY6 PBP2X PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDK1 PDK2 PDK3 PDK4 PPARG PPAT PTGIR PTGS1 PTGS2 RAF1 RYR1 RYR3 SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SERPINC1 SLC12A1 SLC12A3 SYK THRA THRB TLR3 TLR4 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 TYMS VKORC1 XDH bla blaIMP-1 blaOXA-33 blaOXA-58 blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA folP folP1 ftsI fusA gag gyrA gyrB mecA mrcA mrcB mrdA pbp1a pbp1b pbp2 pbp2a pbp2b pbp3 pbp4 pbpA pbpB pbpC pbpF pol ponB rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpoA rpoB rpoC rpoZ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ATP4A known ✓	P20648	2/20	0.39

▸	ATP4B known ✓	P51164	2/20	0.39

▸	ADORA3 known ✓	P0DMS8	1/20	0.39

▸	ADORA1 known ✓	P30542	1/20	0.39

▸	MAPT	P10636	4/20	0.43

▸	NPC1	O15118	2/20	0.40

▸	CYP1A2	P05177	2/20	0.40

▸	CYP3A4	P08684	2/20	0.40

▸	CYP2D6	P10635	2/20	0.40

▸	CYP2C9	P11712	2/20	0.40

▸	CYP2C19	P33261	2/20	0.40

▸	RAB9A	P51151	2/20	0.40

▸	TSHR	P16473	4/20	0.39

▸	ALDH1A1	P00352	3/20	0.39

▸	HTT	P42858	2/20	0.39

▸	TP53	P04637	2/20	0.39

▸	SMN1; SMN2	Q16637	2/20	0.39

▸	MAPK1	P28482	1/20	0.39

▸	WDR5	P61964	2/20	0.39

▸	KMT2A	Q03164	2/20	0.39

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.

Compound	similarity	top predicted	shared targets
SCHEMBL5763498	0.94	MAPT (0.43)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5763484	0.94	MAPT (0.43)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5760369	0.91	MAPT (0.44)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5760383	0.90	MAPT (0.44)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13138459	0.90	MAPT (0.44)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5760364	0.89	MAPT (0.44)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7010552	0.89	MAPT (0.44)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7007033	0.89	MAPT (0.47)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7014253	0.89	MAPT (0.50)	MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13008041	0.88	MAPT (0.43)	MAPTNPC1CYP1A2CYP3A4CYP2D6

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1556371-B1	BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR	WINSTON PHARMACEUTICALS LLC (US)	2006-04-19	—	—	EP	disclosed
US-20040102484-A1	Prodrugs of proton pump inhibitors	ALEVIUM PHARMACEUTICALS, INC.	2004-05-27	—	—	US	disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20040102484-A1	Prodrugs of proton pump inhibitors	ABCB11, SLC10A2, SI	ATP4A 41/4885ATP4B 61/4885ADORA3 755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.