Hydrochloric Acid — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ACE ACHE ACVR1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 AGTR1 ALK AVPR1A AVPR2 BCHE BCR CA2 CACNA1A CACNA1B CACNA1C CACNA1D CACNA1E CACNA1F CACNA1G CACNA1H CACNA1I CACNA1S CACNA2D1 CACNA2D2 CACNA2D3 CACNA2D4 CACNB1 CACNB2 CACNB3 CACNB4 CACNG1 CACNG2 CACNG3 CACNG4 CACNG5 CACNG6 CACNG7 CACNG8 CALCRL CASR CCR5 CDK4 CDK6 CFB CHRM1 CHRM2 CHRM3 CHRM4 CHRM5 CHRNA1 CHRNA3 CHRNA7 CHRNB1 CHRNB4 CHRND CHRNE CHRNG COXFA4 COXFA4L2 CRBN CSF1R CUL4A CYP19A1 DDB1 DPP4 DRD1 DRD2 DRD3 DRD4 EDNRA EGFR EML4 ERBB2 ERBB4 ESR1 ESR2 FGFR1 FGFR3 FLT1 FLT3 FLT4 GAA GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GHSR GLA GNRHR GPD2 GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B GSTP1 HCN4 HCRTR1 HCRTR2 HDAC1 HDAC10 HDAC11 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HRH1 HRH2 HRH3 HSD11B1 HSP90AA1 HSP90AB1 HTR1A HTR1B HTR1D HTR1E HTR1F HTR2A HTR2B HTR2C HTR3A HTR3B HTR3C HTR3D HTR3E HTR4 HTR5A HTR6 HTR7 IMPDH1 IMPDH2 ITGA2B ITGB3 ITK JAK1 JAK2 KCNA1 KCNA10 KCNA2 KCNA3 KCNA4 KCNA5 KCNA6 KCNA7 KCNB1 KCNB2 KCNC1 KCNC2 KCNC3 KCNC4 KCND1 KCND2 KCND3 KCNF1 KCNG1 KCNG2 KCNG3 KCNG4 KCNH1 KCNH2 KCNH3 KCNH4 KCNH5 KCNH6 KCNH7 KCNH8 KCNJ2 KCNJ3 KCNJ5 KCNK3 KCNK9 KCNQ1 KCNQ2 KCNQ3 KCNQ4 KCNQ5 KCNS1 KCNS2 KCNS3 KCNV1 KCNV2 KDR KIT KLKB1 LCK M MAOA MAOB MAPK14 MET MMP1 MMP13 MMP7 MMP8 MT-ND1 MT-ND2 MT-ND3 MT-ND4 MT-ND4L MT-ND5 MT-ND6 NDUFA1 NDUFA10 NDUFA11 NDUFA12 NDUFA13 NDUFA2 NDUFA3 NDUFA5 NDUFA6 NDUFA7 NDUFA8 NDUFA9 NDUFAB1 NDUFAF1 NDUFAF2 NDUFAF3 NDUFAF4 NDUFB1 NDUFB10 NDUFB11 NDUFB2 NDUFB3 NDUFB4 NDUFB5 NDUFB6 NDUFB7 NDUFB8 NDUFB9 NDUFC1 NDUFC2 NDUFS1 NDUFS2 NDUFS3 NDUFS4 NDUFS5 NDUFS6 NDUFS7 NDUFS8 NDUFV1 NDUFV2 NDUFV3 NR3C1 NS5A NTRK1 NTRK2 NTRK3 ODC1 OPRD1 OPRK1 OPRM1 P2RY12 PAH PARP1 PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDE5A PDE7A PDE7B PDE8A PDE8B PDGFRA PDGFRB PIK3CA PIK3CD PNP POLA1 POLA2 POLD1 POLD2 POLD3 POLD4 POLE POLE2 POLE3 PPARG PRIM1 PRIM2 PRKCA PRKCB PRKCD PRKCE PRKCG PRKCH PRKCI PRKCQ PRKCZ PRKD1 PRKD3 PTGS1 PTGS2 RBX1 REN RET ROCK1 ROCK2 RPE65 RRM1 RRM2 RRM2B S1PR1 S1PR2 S1PR3 S1PR4 S1PR5 SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SCNN1A SCNN1B SCNN1G SIGMAR1 SLC18A2 SLC6A1 SLC6A2 SLC6A3 SLC6A4 SLC9A3 SRC TACR1 TOP1 TOP2A TOP2B TTR TYMP dacA dacB dacC embA folA ftsI gyrA gyrB mrcA mrcB mrdA parC parE 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 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmG3 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 Hydrochloric Acid. 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
▸	ACVR1 known ✓	Q04771	1/20	0.37

▸	S1PR1 known ✓	P21453	2/20	0.35

▸	S1PR3 known ✓	Q99500	2/20	0.35

▸	PIK3CA known ✓	P42336	1/20	0.33

▸	PDGFRB known ✓	P09619	1/20	0.32

▸	PDGFRA known ✓	P16234	1/20	0.32

▸	CHEK2	O96017	2/20	0.38

▸	CHEK1	O14757	1/20	0.38

▸	TGFBR1	P36897	1/20	0.37

▸	INPPL1	O15357	1/20	0.36

▸	MAPT	P10636	4/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	POLB	P06746	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	TDP1	Q9NUW8	1/20	0.35

▸	DYRK1A	Q13627	1/20	0.35

▸	ASIC3	Q9UHC3	1/20	0.35

▸	RIPK2	O43353	1/20	0.33

▸	NOD2	Q9HC29	1/20	0.33

▸	DHFR	P00374	1/20	0.33

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
Hydrochloric Acid SCHEMBL2724398	0.85	MAPT (0.52)	S1PR1S1PR3MAPTMEN1POLB
Hydrochloric Acid SCHEMBL856712	0.85	MAPT (0.52)	S1PR1S1PR3MAPTMEN1POLB
SCHEMBL6126888	0.84	MAPT (0.54)	S1PR1S1PR3MAPTMEN1POLB
Hydrochloric Acid SCHEMBL859783	0.83	TGFBR1 (0.42)	CHEK2CHEK1TGFBR1ACVR1S1PR1
Hydrochloric Acid SCHEMBL9280358	0.80	PIK3CA (0.41)	CHEK2CHEK1TGFBR1ACVR1S1PR1
SCHEMBL3754485	0.77	DYRK1A (0.46)	TGFBR1ACVR1S1PR1S1PR3MAPT
Hydrochloric Acid SCHEMBL7484155	0.72	PNMT (0.57)	MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8511956	0.72	DYRK1A (0.38)	TGFBR1ACVR1S1PR1S1PR3MAPT
SCHEMBL7859043	0.72	S1PR1 (0.45)	S1PR1S1PR3MAPTPOLBDYRK1A
Hydrochloric Acid SCHEMBL8102356	0.71	MAPT (0.50)	MAPTMEN1KMT2A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20140080810-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	EXELIXIS, INC. (US)	2014-03-20	—	—	US	disclosed
US-20140066431-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	EXELIXIS, INC. (US)	2014-03-06	—	—	US	disclosed
US-8648066-B2	Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture	EXELIXIS, INC. (US)	2014-02-11	—	—	US	disclosed
US-8637499-B2	Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture	EXELIXIS, INC. (US)	2014-01-28	—	—	US	disclosed
EP-2640366-A2	BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE	Exelixis, Inc. (US)	2013-09-25	—	—	EP	disclosed
EP-2640367-A2	BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE	Exelixis, Inc. (US)	2013-09-25	—	—	EP	disclosed
EP-2435426-B1	BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE	EXELIXIS INC (US)	2013-05-22	—	—	EP	disclosed
US-20120258953-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	EXELIXIS, INC. (US)	2012-10-11	—	—	US	disclosed
WO-2012068096-A2	BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE	EXELIXIS, INC. (US)	2012-05-24	—	—	WO	disclosed
WO-2012068106-A2	BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE	EXELIXIS, INC. (US)	2012-05-24	—	—	WO	disclosed
EP-2435426-A1	BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE	Exelixis, Inc. (US)	2012-04-04	—	—	EP	disclosed
EP-2432779-A1	BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES	Exelixis, Inc. (US)	2012-03-28	—	—	EP	disclosed
WO-2010138487-A1	BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE	EXELIXIS, INC. (US)	2010-12-02	—	—	WO	disclosed
WO-2010135568-A1	BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER	EXELIXIS, INC. (US)	2010-11-25	—	—	WO	disclosed
US-20100298290-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	EXELIXIS, INC. (US)	2010-11-25	—	—	US	disclosed
WO-2010135524-A1	BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES	EXELIXIS, INC. (US)	2010-11-25	—	—	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 (4 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-20100298290-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	MTOR, RICTOR, PIK3CA	ACVR1 2901/4885S1PR1 2340/4885S1PR3 1842/4885
US-20140080810-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	MTOR, RICTOR, PIK3CA	ACVR1 2769/4885S1PR1 2179/4885S1PR3 1637/4885
US-20120258953-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	PIK3R1, PIK3R3, PIK3R2	ACVR1 321/4885S1PR1 2650/4885S1PR3 2251/4885
US-20140066431-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	MTOR, RICTOR, PIK3CA	ACVR1 2929/4885S1PR1 2166/4885S1PR3 1687/4885

“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.