Docusate — predicted protein targets

Known targets — ChEMBL curated mechanism

GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HMGCR MMP1 MMP13 MMP7 MMP8 PTGS1 PTGS2 ileS 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 Docusate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MMP8 known ✓	P22894	1/20	0.31

▸	RECQL	P46063	1/20	0.71

▸	CYP3A4	P08684	4/20	0.44

▸	TSHR	P16473	3/20	0.44

▸	TDP1	Q9NUW8	2/20	0.44

▸	ATM	Q13315	1/20	0.44

▸	CA2	P00918	4/20	0.38

▸	ALDH1A1	P00352	5/20	0.36

▸	MAPK1	P28482	3/20	0.34

▸	LMNA	P02545	3/20	0.33

▸	HSD17B10	Q99714	1/20	0.33

▸	PRSS1	P07477	1/20	0.32

▸	PRSS2	P07478	1/20	0.32

▸	PRSS3	P35030	1/20	0.32

▸	MMP9	P14780	1/20	0.31

▸	MMP14	P50281	1/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

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
Docusate SCHEMBL1282782	0.99	RECQL (0.72)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL11434516	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL6932639	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22231584	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL19022251	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL17840937	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL723749	0.98	RECQL (0.71)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL2371693	0.95	RECQL (0.79)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22245572	0.94	RECQL (0.65)	RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL6538331	0.91	RECQL (0.69)	RECQLCYP3A4TSHRTDP1ATM

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20130143844-A1	ECTOPARASITICIDE-CONTAINING PREPARATION FOR SPONTANEOUS EMULSION FORMATION	BAYER ANIMAL HELATH GMBH (DE)	2013-06-06	—	—	US	disclosed
WO-2011157732-A1	ECTOPARASITICIDE-CONTAINING PREPARATION FOR SPONTANEOUS EMULSION FORMATION	BAYER ANIMAL HEALTH GMBH (DE)	2011-12-22	—	—	WO	disclosed
WO-2002024182-A1	ECTOPARASITE FORMULATION	HAIR ADVISORY CENTRE PTY LTD T/A QUEENSLAND COSMETIC LABORATORIES (AU)	2002-03-28	—	—	WO	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-20130143844-A1	ECTOPARASITICIDE-CONTAINING PREPARATION FOR SPONTANEOUS EMULSION FORMATION	LIPA, PHOSPHO1, NAPEPLD	MMP8 392/4885RECQL 1021/4885CYP3A4 2798/4885

“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.