Dodecanol — 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 Dodecanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	2/20	0.59

▸	ALDH1A1	P00352	2/20	0.59

▸	TSHR	P16473	2/20	0.59

▸	HSD17B10	Q99714	1/20	0.59

▸	MEN1	O00255	1/20	0.59

▸	KMT2A	Q03164	1/20	0.59

▸	SMN1; SMN2	Q16637	1/20	0.55

▸	EPHX1	P07099	1/20	0.43

▸	ADH1B	P00325	1/20	0.43

▸	ADH1C	P00326	1/20	0.43

▸	ADH1A	P07327	1/20	0.43

▸	ADH4	P08319	1/20	0.43

▸	ADH7	P40394	1/20	0.43

▸	TP53	P04637	1/20	0.42

▸	CA1	P00915	2/20	0.41

▸	CA2	P00918	2/20	0.41

▸	NAAA	Q02083	1/20	0.39

▸	PPARA	Q07869	2/20	0.39

▸	FAAH	O00519	2/20	0.38

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
Cetostearyl Alcohol SCHEMBL28668273	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
1-Hexanol SCHEMBL8015503	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Docosanol SCHEMBL6307010	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Cetyl Alcohol SCHEMBL1360724	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Sulfuric Acid SCHEMBL5510760	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Cetyl Alcohol SCHEMBL9782972	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Sulfuric Acid SCHEMBL9563634	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Myristyl Alcohol SCHEMBL4612309	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Octanol SCHEMBL208036	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1
Decanol SCHEMBL28463807	0.91	LMNA (0.72)	LMNAALDH1A1TSHRHSD17B10MEN1

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-4211871-A	BACTERICIDES, FUNGICIDES	COLGATE-PALMOLIVE COMPANY (US)	1980-07-08	—	—	US	disclosed
US-4122085-A	MICROBIOCIDES	COLGATE-PALMOLIVE COMPANY (US)	1978-10-24	—	—	US	disclosed
US-4122084-A	MICROBIOCIDES	COLGATE-PALMOLIVE COMPANY (US)	1978-10-24	—	—	US	disclosed
US-4049665-A	1-OXO-2-PYRIDYL DISULFIDES; FOR USE IN SKIN CLEANSERS, SHAMPOOS, HAIR DRESSINGS, DISINFECTANTS, PRESERVATIVES	COLGATE-PALMOLIVE COMPANY (US)	1977-09-20	—	—	US	disclosed
US-4048181-A	MICROBIOCIDES, ANTISEPTICS	COLGATE-PALMOLIVE COMPANY (US)	1977-09-13	—	—	US	disclosed
US-4041033-A	ANTIMICROBIALS, ESPECIALLY IN SKIN CLEANSING DETERGENTS, SHAMPOOS, HAIR DRESSINGS	COLGATE-PALMOLIVE COMPANY (US)	1977-08-09	—	—	US	disclosed
US-3971725-A	2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions	COLGATE-PALMOLIVE COMPANY (US)	1976-07-27	—	—	US	disclosed
US-3966928-A	HAIR AND SKIN CONDITIONERS	COLGATE-PALMOLIVE COMPANY (US)	1976-06-29	—	—	US	disclosed