Adenine

SCHEMBL23041044

NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(=O)c1cccnc1.Nc1ncnc2[nH]cnc12.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRB1 ADRB2 ADRB3 CYP11B1 DPP4 FGFR1 FGFR2 FGFR3 FGFR4 HRH1 JAK1 JAK2 JAK3 KCNA1 KCNA10 KCNA2 KCNA3 KCNA4 KCNA5 KCNA6 KCNA7 KCNB1 KCNB2 KCNC1 KCNC2 KCNC3 KCNC4 KCND1 KCND2 KCND3 KCNF1 KCNG1 KCNG2 KCNG3 KCNG4 KCNH1 KCNH2 KCNH3 KCNH4 KCNH5 KCNH6 KCNH7 KCNH8 KCNQ1 KCNQ2 KCNQ3 KCNQ4 KCNQ5 KCNS1 KCNS2 KCNS3 KCNV1 KCNV2 KDR KIT NA OPRD1 OPRK1 OPRM1 P PDGFRB PIK3CD SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SMO TYK2 pol 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 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 Adenine. 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
▸	ADH1A	P07327	3/20	0.74

▸	LMNA	P02545	1/20	0.59

▸	PMP22	Q01453	1/20	0.59

▸	TP53	P04637	1/20	0.59

▸	TSHR	P16473	1/20	0.59

▸	ALOX12	P18054	1/20	0.59

▸	NADK	O95544	2/20	0.58

▸	LDHA	P00338	1/20	0.55

▸	LDHB	P07195	1/20	0.55

▸	P2RY1	P47900	3/20	0.54

▸	P2RY2	P41231	2/20	0.54

▸	SRC	P12931	1/20	0.54

▸	P2RX1	P51575	1/20	0.54

▸	P2RX3	P56373	1/20	0.54

▸	P2RX4	Q99571	1/20	0.54

▸	P2RX2	Q9UBL9	1/20	0.54

▸	ALDH1A1	P00352	1/20	0.54

▸	SMN1; SMN2	Q16637	1/20	0.54

▸	IMPDH2	P12268	3/20	0.54

▸	IMPDH1	P20839	3/20	0.54

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
Adenine SCHEMBL15279	0.99	ADH1A (0.75)	ADH1ALMNAPMP22TP53TSHR
Adenine SCHEMBL851383	0.99	ADH1A (0.74)	ADH1ALMNAPMP22TP53TSHR
Niacinamide SCHEMBL14861027	0.94	ADH1A (0.84)	ADH1ALMNAPMP22TP53TSHR
Adenine SCHEMBL30498936	0.92	ADH1A (0.73)	ADH1ALMNAPMP22TP53TSHR
SCHEMBL4595394	0.90	ADH1A (0.81)	ADH1ALMNAPMP22TP53TSHR
SCHEMBL8505460	0.90	ADH1A (0.81)	ADH1ALMNAPMP22TP53TSHR
Nicotine SCHEMBL16345	0.89	ADH1A (0.68)	ADH1ALMNAPMP22TP53TSHR
Phosphoric Acid SCHEMBL2909224	0.87	ADH1A (0.98)	ADH1ALMNAPMP22TP53TSHR
SCHEMBL8187	0.86	ADH1A (1.00)	ADH1ALMNAPMP22TP53TSHR
SCHEMBL20202727	0.86	ADH1A (1.00)	ADH1ALMNAPMP22TP53TSHR

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-3997236-A1	PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION	Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE)	2022-05-18	—	—	EP	disclosed
WO-2021038095-A1	PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION	MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE)	2021-03-04	—	—	WO	disclosed