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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.47 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.47 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.45 |
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 SCHEMBL5838792 | 0.86 | ADRA2A (0.50) | FAAHKMT2AMEN1ADRA2AADRA2B | |
| SCHEMBL5838590 | 0.85 | ADRA2A (0.51) | FAAHKMT2AMEN1SMN1; SMN2ADRA2A | |
| SCHEMBL5838807 | 0.83 | POLB (0.50) | FAAHKMT2AMEN1POLBADRA2A | |
| SCHEMBL5839625 | 0.81 | ADRA2A (0.50) | ADRA2AADRA2BADRA2C | |
| SCHEMBL3600315 | 0.80 | FAAH (1.00) | FAAHKMT2AMEN1SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL5838199 | 0.79 | ADRA2A (0.46) | ADRA2AADRA2BADRA2C | |
| SCHEMBL5839117 | 0.79 | ADRA2A (0.48) | ADRA2AADRA2BADRA2C | |
| SCHEMBL5839520 | 0.78 | MEN1 (0.52) | KMT2AMEN1SMN1; SMN2MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL5838508 | 0.77 | ADRA2A (0.62) | ADRA2AADRA2BADRA2C | |
| SCHEMBL4687421 | 0.76 | ADRA2A (0.70) | ADRA2AADRA2BADRA2C |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7141584-B2 | guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. | ROCHE PALO ALTO LLC (US) | 2006-11-28 | — | — | US | disclosed |
| US-20040122053-A1 | 2-(substituted-phenyl)amino-imidazoline derivatives | BLEY KEITH ROGER (US) | 2004-06-24 | — | — | US | disclosed |
| US-6693200-B2 | IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS | SYNTEX (U.S.A.) LLC | 2004-02-17 | — | — | US | disclosed |
| US-20030229123-A1 | Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors | BLEY KEITH ROGER (US) | 2003-12-11 | — | — | US | disclosed |
| US-6596876-B2 | Prostaglandin I2 inhibitors | SYNTEX (U.S.A.) LLC | 2003-07-22 | — | — | US | disclosed |
| US-20030036655-A1 | 2-(substituted-phenyl)amino-imidazoline derivatives | BLEY KEITH ROGER (US) | 2003-02-20 | — | — | US | disclosed |
| US-6472536-B1 | SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN | SYNTEX (U.S.A.) LLC | 2002-10-29 | — | — | US | disclosed |
| US-6184242-B1 | 2-(substituted-phenyl)amino-imidazoline derivatives | SYNTEX USA (LLC) | 2001-02-06 | — | — | US | disclosed |
| EP-0902018-A2 | 2-(Arylphenyl)amino-imidazoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | 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 (3 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-20030229123-A1 | Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors | LTB4R2, LTB4R, ALOX5 | GRIN2D 1633/4885GRIN3B 2383/4885GRIN1 1375/4885 |
| US-20040122053-A1 | 2-(substituted-phenyl)amino-imidazoline derivatives | GIPR, GRK2, TBXA2R | GRIN2D 305/4885GRIN3B 199/4885GRIN1 128/4885 |
| US-20030036655-A1 | 2-(substituted-phenyl)amino-imidazoline derivatives | GIPR, TBXA2R, GRK2 | GRIN2D 216/4885GRIN3B 210/4885GRIN1 160/4885 |
“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.