Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.41 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SCN10A known ✓ | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.32 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
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 SCHEMBL1440350 | 1.00 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL1440719 | 1.00 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL2760888 | 0.98 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL20184239 | 0.98 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL14480428 | 0.98 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL998729 | 0.84 | P2RX3 (0.37) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL998728 | 0.84 | P2RX3 (0.37) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL2749385 | 0.83 | SLC6A4 (0.44) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL2674305 | 0.81 | SLC6A4 (0.46) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 | |
| SCHEMBL2863572 | 0.81 | SLC6A4 (0.46) | ADRA2AADRA2BADRA2CCYP1A2CYP2E1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3372582-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. Lundbeck A/S (DK) | 2018-09-12 | — | — | EP | disclosed |
| US-20180250277-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. LUNDBECK A/S (DK) | 2018-09-06 | — | — | US | disclosed |
| EP-2729447-B1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H LUNDBECK AS (DK) | 2018-05-30 | — | — | EP | disclosed |
| US-9889122-B2 | Positive allosteric modulators of nicotinic acetylcholine receptor | H. LUNDBECK A/S (DK) | 2018-02-13 | — | — | US | disclosed |
| CN-107082760-A | The positive allosteric modulators of nAChR | H.隆德贝克有限公司 | 2017-08-22 | — | — | CN | disclosed |
| CN-106966964-A | The positive allosteric modulators of nAChR | H.隆德贝克有限公司 | 2017-07-21 | — | — | CN | disclosed |
| US-20170079967-A1 | New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor | H. LUNDBECK A/S (DK) | 2017-03-23 | — | — | US | disclosed |
| US-9549919-B2 | Positive allosteric modulators of nicotinic acetylcholine receptor | H. LUNDBECK A/S (DK) | 2017-01-24 | — | — | US | disclosed |
| US-20150231121-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. LUNDBECK A/S (DK) | 2015-08-20 | — | — | US | disclosed |
| US-9050327-B2 | Positive allosteric modulators of nicotinic acetylcholine receptor | H. LUNDBECK A/S (DK) | 2015-06-09 | — | — | US | disclosed |
| US-8865726-B2 | Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-10-21 | — | — | US | disclosed |
| EP-2729447-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. Lundbeck A/S (DK) | 2014-05-14 | — | — | EP | disclosed |
| CN-103764629-A | Positive allosteric modulators of nicotinic acetylcholine receptors | LUNDBECK & CO AS H | 2014-04-30 | — | — | CN | disclosed |
| US-20140044806-A1 | NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. LUNDBECK A/S (DK) | 2014-02-13 | — | — | US | disclosed |
| US-8598213-B2 | Positive allosteric modulators of nicotinic acetylcholine receptor | H. LUNDBECK A/S (DK) | 2013-12-03 | — | — | US | disclosed |
| WO-2013007621-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. LUNDBECK A/S (DK) | 2013-01-17 | — | — | WO | disclosed |
| US-20130012530-A1 | New Positive allosteric modulators of nicotinic acetylcholine receptor | H. LUNDBECK A/S (DK) | 2013-01-10 | — | — | US | disclosed |
| US-20120178715-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011029027-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-03-10 | — | — | 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 (6 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-20180250277-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | CHRNG, CHRNA7, CHRNA2 | ADRA2A 73/4885ADRA2B 101/4885ADRA2C 59/4885 |
| US-20140044806-A1 | NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | CHRNG, CHRNA7, CHRNA1 | ADRA2A 79/4885ADRA2B 90/4885ADRA2C 54/4885 |
| US-20120178715-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MTOR, RICTOR, EIF4EBP1 | ADRA2A 3210/4885ADRA2B 3284/4885ADRA2C 3589/4885 |
| US-20130012530-A1 | New Positive allosteric modulators of nicotinic acetylcholine receptor | CHRNG, CHRNA7, CHRNA1 | ADRA2A 79/4885ADRA2B 90/4885ADRA2C 54/4885 |
| US-20150231121-A1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | CHRNG, CHRNA7, CHRNA2 | ADRA2A 73/4885ADRA2B 101/4885ADRA2C 59/4885 |
| US-20170079967-A1 | New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor | CHRNG, CHRNA7, CHRNA1 | ADRA2A 73/4885ADRA2B 82/4885ADRA2C 47/4885 |
“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.