Androsterone

SCHEMBL17165674

C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

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 Androsterone. 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
▸	G6PD	P11413	6/20	0.90

▸	GPBAR1	Q8TDU6	4/20	0.90

▸	LMNA	P02545	3/20	0.90

▸	CYP3A4	P08684	3/20	0.90

▸	MEN1	O00255	3/20	0.90

▸	KMT2A	Q03164	3/20	0.90

▸	MAPK1	P28482	3/20	0.90

▸	SHBG	P04278	2/20	0.90

▸	SERPINA6	P08185	2/20	0.90

▸	HSD17B3	P37058	1/20	0.90

▸	PMP22	Q01453	1/20	0.90

▸	AKR1B10	O60218	1/20	0.90

▸	AKR1B1	P15121	1/20	0.90

▸	CYP2D6	P10635	1/20	0.90

▸	TSHR	P16473	1/20	0.90

▸	NFKB1	P19838	1/20	0.90

▸	CYP2C19	P33261	1/20	0.90

▸	ALDH1A1	P00352	1/20	0.61

▸	TP53	P04637	1/20	0.61

▸	MAPT	P10636	1/20	0.61

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
Androsterone SCHEMBL17165679	1.00	G6PD (0.90)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL235686	1.00	G6PD (0.90)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL136325	1.00	G6PD (0.90)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL7989333	0.99	G6PD (0.88)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL1570817	0.99	G6PD (0.88)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL7996607	0.99	G6PD (0.88)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL23031469	0.95	G6PD (1.00)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL19750468	0.95	G6PD (1.00)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL269982	0.95	G6PD (1.00)	G6PDGPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL15426610	0.95	G6PD (1.00)	G6PDGPBAR1LMNACYP3A4MEN1

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-3151665-A1	METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK	Laboratory Corporation of America Holdings (US)	2017-04-12	—	—	EP	disclosed
WO-2015157601-A1	METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK	SYNAPDX CORPORATION (US)	2015-10-15	—	—	WO	disclosed