SCHEMBL9744159 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	P2RX7	Q99572	1/20	0.35

▸	GABRA1	P14867	1/20	0.32

▸	GABRB2	P47870	1/20	0.32

▸	HTT	P42858	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.30

▸	CYP1A2	P05177	1/20	0.30

▸	CYP2C9	P11712	1/20	0.30

▸	CYP2C19	P33261	1/20	0.30

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
SCHEMBL535464	0.82	GABRA1 (0.44)	GABRA1GABRB2ALDH1A1CYP1A2CYP2C19
SCHEMBL1268650	0.82	ALDH1A1 (0.32)	ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9036599	0.78	CYP2D6 (0.41)	GABRA1GABRB2HTTALDH1A1CYP1A2
SCHEMBL507010	0.78	TSHR (0.46)	P2RX7HTTALDH1A1
SCHEMBL29974545	0.78	TSHR (0.46)	P2RX7HTTALDH1A1
SCHEMBL1415318	0.75	P2RX7 (0.45)	P2RX7GABRA1GABRB2HTTALDH1A1
SCHEMBL30566931	0.75	P2RX7 (0.45)	P2RX7GABRA1GABRB2HTTALDH1A1
SCHEMBL17103432	0.75	TSHR (0.53)	GABRA1GABRB2HTT
SCHEMBL20141749	0.73	—	—
SCHEMBL5521697	0.73	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5098996-A	Fluorination of compounds for use in diagnosis of nuclear medicine	THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	1992-03-24	—	—	US	disclosed