SCHEMBL5407485 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 BMX BRAF BTK CHRNA4 CHRNB2 CSNK1E EGFR ERBB2 F10 FLT1 FLT3 FLT4 IGF1R INSR ITK JAK3 KDR KIT OPRM1 PARP1 PARP2 PDGFRB PIK3CD RAF1 RET SLC18A2 TEC TXK dacA dacB dacC ftsI mrcA mrcB mrdA 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 None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	2/20	0.48

▸	CYP2C9	P11712	1/20	0.48

▸	KMT2A	Q03164	5/20	0.46

▸	GAA	P10253	1/20	0.46

▸	CA12	O43570	2/20	0.44

▸	CA1	P00915	2/20	0.44

▸	CA2	P00918	2/20	0.44

▸	CA9	Q16790	2/20	0.44

▸	ALDH1A1	P00352	7/20	0.44

▸	GBA1	P04062	1/20	0.43

▸	LMNA	P02545	5/20	0.43

▸	CYP2D6	P10635	2/20	0.43

▸	SMN1; SMN2	Q16637	2/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	RECQL	P46063	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	MEN1	O00255	2/20	0.42

▸	KDM4E	B2RXH2	2/20	0.42

▸	L3MBTL1	Q9Y468	2/20	0.42

▸	TSHR	P16473	1/20	0.42

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
SCHEMBL5403997	1.00	CYP1A2 (0.48)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL5392841	0.88	LMNA (0.46)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL5402167	0.88	POLB (0.52)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL5399851	0.88	POLB (0.52)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL5392843	0.88	LMNA (0.46)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL5405829	0.88	TSHR (0.50)	KMT2AGAACA12CA1CA2
SCHEMBL5407602	0.88	TSHR (0.50)	KMT2AGAACA12CA1CA2
SCHEMBL28117038	0.86	KMT2A (0.47)	CYP1A2CYP2C9KMT2AGAACA12
SCHEMBL4269483	0.85	CYP1A2 (0.44)	CYP1A2CYP2C9KMT2AGAACA1
SCHEMBL10347234	0.85	CYP1A2 (0.44)	CYP1A2CYP2C9KMT2ACA12CA1

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-7205433-B2	Crystal of amino acid ester salt and process for producing the same	AJINOMOTO CO., INC. (JP)	2007-04-17	—	—	US	disclosed
US-20050197396-A1	Crystal of amino acid ester salt and process for producing the same	AJINOMOTO CO. INC (JP)	2005-09-08	—	—	US	disclosed
EP-1541546-A1	CRYSTAL OF AMINO ACID ESTER SALT AND PROCESS FOR PRODUCING THE SAME	Ajinomoto Co., Inc. (JP)	2005-06-15	—	—	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-20050197396-A1	Crystal of amino acid ester salt and process for producing the same	SLC43A1, AAAS, AARS1	CYP1A2 3428/4885CYP2C9 2127/4885KMT2A 1583/4885

“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.