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

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A3 known ✓	Q01959	12/20	0.58

▸	SLC6A2 known ✓	P23975	3/20	0.58

▸	SLC6A4	P31645	10/20	0.58

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
Brasofensine SCHEMBL20390950	0.94	SLC6A3 (0.60)	SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL14762214	0.94	SLC6A3 (0.60)	SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL539079	0.94	SLC6A3 (0.60)	SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL1649206	0.94	SLC6A3 (0.60)	SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL20390946	0.94	SLC6A3 (0.60)	SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL29426326	0.90	SLC6A3 (0.58)	SLC6A3SLC6A4SLC6A2
SCHEMBL7455410	0.85	SLC6A3 (0.59)	SLC6A3SLC6A4SLC6A2
SCHEMBL7460089	0.85	SLC6A3 (0.59)	SLC6A3SLC6A4SLC6A2
SCHEMBL3671497	0.83	SLC6A3 (0.59)	SLC6A3SLC6A4SLC6A2
SCHEMBL2996397	0.83	SLC6A3 (0.57)	SLC6A3SLC6A4SLC6A2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1257541-B1	POLYPHARMACOPHORIC AGENTS	MOLECULAR INSIGHT PHARM INC (US)	2008-09-03	—	—	EP	disclosed
US-20070129440-A1	Polypharmacophoric agents	MOLECULAR INSIGHT PHARMACEUTICALS, INC.	2007-06-07	—	—	US	disclosed
US-7141573-B2	Polypharmacophoric agents	MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US)	2006-11-28	—	—	US	disclosed
EP-1257541-A2	POLYPHARMACOPHORIC AGENTS	Biostream Therapeutics (US)	2002-11-20	—	—	EP	disclosed
US-20020042357-A1	Polypharmacophoric agents	MOLECULAR INSIGHT PHARMACEUTICALS, INC.	2002-04-11	—	—	US	disclosed
WO-2001051474-A2	POLYPHARMACOPHORIC AGENTS	BIOSTREAM THERAPEUTICS, INC. (US)	2001-07-19	—	—	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-20020042357-A1	Polypharmacophoric agents	COMT, SLC6A3, HTR3C	SLC6A3 2/4885SLC6A2 26/4885SLC6A4 23/4885

“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.