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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.63 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.63 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.63 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.63 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5055962 | 0.99 | SMN1; SMN2 (0.65) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5056132 | 0.96 | SMN1; SMN2 (0.62) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5065806 | 0.91 | ALDH1A1 (0.69) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5059344 | 0.90 | SMN1; SMN2 (0.77) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5066221 | 0.88 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5513707 | 0.88 | ALDH1A1 (0.68) | CYP3A4SMN1; SMN2LMNAALDH1A1KDM4E | |
| SCHEMBL5060408 | 0.88 | CYP3A4 (0.68) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5061312 | 0.87 | ALDH1A1 (0.71) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5058942 | 0.87 | LMNA (0.64) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 | |
| SCHEMBL5055389 | 0.86 | SMN1; SMN2 (0.56) | CYP3A4SMN1; SMN2LMNAABCB11CYP1A2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080119471-A1 | Piperazine urea derivatives for the treatment of endometriosis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-05-22 | — | — | US | disclosed |
| US-7268140-B2 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AG (DE) | 2007-09-11 | — | — | US | disclosed |
| US-20060135487-A1 | Piperazine derivatives and their use as anti-inflammatory agents | BAUMAN JOHN G | 2006-06-22 | — | — | US | disclosed |
| US-6977258-B2 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-12-20 | — | — | US | disclosed |
| US-6972290-B2 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-12-06 | — | — | US | disclosed |
| US-20030158205-A1 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | US | disclosed |
| US-20030139425-A1 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | US | disclosed |
| US-6573266-B1 | Compounds used for treating multitiple sclerosis and encephalomyelitis | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-06-03 | — | — | US | disclosed |
| US-6555537-B2 | Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-04-29 | — | — | US | disclosed |
| US-6541476-B1 | Treating multiple sclerosis or encephalomyelitis in a human | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-04-01 | — | — | US | disclosed |
| US-6534509-B1 | Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-03-18 | — | — | US | disclosed |
| EP-0988292-B1 | PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING AG (DE) | 2003-02-12 | — | — | EP | disclosed |
| US-20020177598-A1 | Piperazine derivatives and their use as anti-inflammatory agents | SCHERING AKTIENGSCHELLSCHAFT | 2002-11-28 | — | — | US | disclosed |
| EP-1254899-A2 | Piperazine derivatives and their use as anti-inflammatory agents | Schering Aktiengesellschaft (DE) | 2002-11-06 | — | — | EP | disclosed |
| US-6207665-B1 | TO TREAT INFLAMMATORY DISORDERS IN HUMANS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-03-27 | — | — | US | 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 (5 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-20030139425-A1 | Piperazine derivatives and their use as anti-inflammatory agents | IL5, PTGES2, PTGES | ADRA2A 853/4885CHRM1 3856/4885SLC6A2 4430/4885 |
| US-20060135487-A1 | Piperazine derivatives and their use as anti-inflammatory agents | IL5, PTGES2, PTGES | ADRA2A 853/4885CHRM1 3856/4885SLC6A2 4430/4885 |
| US-20020177598-A1 | Piperazine derivatives and their use as anti-inflammatory agents | IL5, PTGES2, PTGES | ADRA2A 853/4885CHRM1 3856/4885SLC6A2 4430/4885 |
| US-20030158205-A1 | Piperazine derivatives and their use as anti-inflammatory agents | IL5, PTGES2, PTGES | ADRA2A 853/4885CHRM1 3856/4885SLC6A2 4430/4885 |
| US-20080119471-A1 | Piperazine urea derivatives for the treatment of endometriosis | ESR2, GPER1, SLC14A1 | ADRA2A 1796/4885CHRM1 3131/4885SLC6A2 4471/4885 |
“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.