Bufalin — predicted protein targets

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Bufalin. 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
▸	ATP1A1	P05023	6/20	0.93

▸	ATP1B1	P05026	6/20	0.93

▸	ATP1A3	P13637	6/20	0.93

▸	ATP1B2	P14415	6/20	0.93

▸	ATP1A2	P50993	6/20	0.93

▸	ATP1B3	P54709	6/20	0.93

▸	FXYD2	P54710	6/20	0.93

▸	ATP1A4	Q13733	6/20	0.93

▸	CYP3A4	P08684	3/20	0.93

▸	CYP3A5	P20815	2/20	0.93

▸	AR	P10275	1/20	0.93

▸	ZFP91	Q96JP5	1/20	0.93

▸	CYP3A7	P24462	1/20	0.68

▸	STAT3	P40763	1/20	0.64

▸	RAB9A	P51151	4/20	0.59

▸	NPC1	O15118	3/20	0.59

▸	PAX8	Q06710	2/20	0.59

▸	ATP12A	P54707	2/20	0.59

▸	TP53	P04637	2/20	0.59

▸	LMNA	P02545	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.

Compound	similarity	top predicted	shared targets
Bufalin SCHEMBL12756993	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL19415190	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL21129737	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL20127236	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL165666	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL23382204	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL15864888	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL21083171	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL14477877	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL15625129	0.96	ATP1A1 (1.00)	ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8062639-B2	Antibodies to bufalin prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2011-11-22	—	—	US	claimed
WO-2009091542-A2	ANTIBODIES TO BUFADIENOLIDES PREVENT INHBITION OF NA/KATPASE AND PROLONG SURVIVAL IN SHOCK	GANN DONALD STUART (US)	2009-07-23	—	—	WO	claimed
US-20090181031-A1	Antibodies to bufadienolides prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2009-07-16	—	—	US	claimed
US-8062639-B2	Antibodies to bufalin prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2011-11-22	—	—	US	disclosed
US-8062639-B2	Antibodies to bufalin prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2011-11-22	—	—	US	disclosed
WO-2009091542-A2	ANTIBODIES TO BUFADIENOLIDES PREVENT INHBITION OF NA/KATPASE AND PROLONG SURVIVAL IN SHOCK	GANN DONALD STUART (US)	2009-07-23	—	—	WO	disclosed
US-20090181031-A1	Antibodies to bufadienolides prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2009-07-16	—	—	US	disclosed
US-20090181031-A1	Antibodies to bufadienolides prevent inhibition of Na/K ATPase and prolong survival in shock	SHOCK THERAPEUTICS BIOTECHNOLOGIES, INC.	2009-07-16	—	—	US	disclosed