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

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	IDO1	P14902	14/20	0.81

▸	NOS1	P29475	4/20	0.81

▸	NOS3	P29474	1/20	0.81

▸	NOS2	P35228	1/20	0.81

▸	SLC11A2	P49281	1/20	0.63

▸	TAAR1	Q96RJ0	1/20	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
Benzyl Carbamimidothioate SCHEMBL974745	0.90	IDO1 (1.00)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL893859	0.88	IDO1 (1.00)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL28084166	0.88	IDO1 (0.95)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL14576763	0.88	IDO1 (1.00)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL4911682	0.88	IDO1 (1.00)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL27962431	0.86	IDO1 (0.91)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL28084165	0.86	IDO1 (0.91)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL11527781	0.85	IDO1 (0.81)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL9507886	0.84	IDO1 (0.88)	IDO1NOS1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL1303111	0.83	CYP2D6 (0.63)	IDO1NOS1NOS3NOS2SLC11A2

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
US-20130136794-A1	HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF	PEKING UNIVERSITY (CN)	2013-05-30	—	—	US	disclosed
EP-2562157-A1	HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF	Peking University (CN)	2013-02-27	—	—	EP	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-20130136794-A1	HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF	LTK, ERBB2, ABL1	IDO1 2550/4885NOS1 3279/4885NOS3 2777/4885

“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.