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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.56 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.55 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12445264 | 0.98 | SIGMAR1 (0.58) | SIGMAR1GAAMEN1KMT2ATSHR | |
| Heptane SCHEMBL28208688 | 0.88 | GAA (0.49) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL12445301 | 0.85 | CYP3A4 (0.54) | SIGMAR1MEN1KMT2ATSHRPOLB | |
| SCHEMBL15320452 | 0.82 | GAA (0.62) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL4006088 | 0.82 | SIGMAR1 (0.54) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL27798357 | 0.80 | SIGMAR1 (0.62) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL26620455 | 0.80 | GAA (0.56) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL4003168 | 0.79 | GAA (0.44) | SIGMAR1GAAMEN1KMT2ATSHR | |
| SCHEMBL31230969 | 0.79 | GAA (0.54) | SIGMAR1GAAMEN1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL25412712 | 0.77 | CYP3A4 (0.54) | SIGMAR1MEN1KMT2ATSHRPOLB |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107892663-B | A kind of synthetic method of tetra- fluoropyrrolidine of 3,3,4,4- | 武汉药明康德新药开发有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-107892663-B | A kind of synthetic method of tetra- fluoropyrrolidine of 3,3,4,4- | 武汉药明康德新药开发有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-107892663-A | A kind of synthetic method of 3,3,4,4 4 fluoropyrrolidine | 武汉药明康德新药开发有限公司 | 2018-04-10 | — | — | CN | disclosed |
| EP-2348010-B1 | METHOD FOR PRODUCING TETRAFLUORO COMPOUND | NIPPON SODA CO (JP) | 2014-02-26 | — | — | EP | disclosed |
| US-8481774-B2 | Method for producing tetrafluoro compound | NIPPON SODA CO., LTD. (JP) | 2013-07-09 | — | — | US | disclosed |
| EP-2348010-A1 | METHOD FOR PRODUCING TETRAFLUORO COMPOUND | Nippon Soda Co., Ltd. (JP) | 2011-07-27 | — | — | EP | disclosed |
| US-20110178323-A1 | METHOD FOR PRODUCING TETRAFLUORO COMPOUND | NIPPON SODA CO., LTD. (JP) | 2011-07-21 | — | — | US | disclosed |
| EP-1513808-A2 | FLUORINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | Pfizer Products Inc. (US) | 2005-03-16 | — | — | EP | disclosed |
| WO-2005019168-A2 | FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043292-A1 | Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors | PFIZER INC | 2005-02-24 | — | — | US | disclosed |
| US-20040242898-A1 | Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds | PFIZER INC | 2004-12-02 | — | — | US | disclosed |
| US-6812350-B2 | ANTIDIABETIC AGENTS; METABOLISM DISEASES; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS | PFIZER INC. | 2004-11-02 | — | — | US | disclosed |
| US-20040132713-A1 | Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors | PFIZER INC | 2004-07-08 | — | — | US | disclosed |
| US-6710040-B1 | Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors | PFIZER INC. | 2004-03-23 | — | — | US | disclosed |
| US-20040002609-A1 | Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds | PFIZER INC. | 2004-01-01 | — | — | US | disclosed |
| WO-2003101449-A2 | PROCESS FOR THE PREPARATION OF 3,3,4,4-TETRAFLUOROPYRROLIDINE AND DERIVATIVES THEREOF | PFIZER PRODUCTS INC. (US) | 2003-12-11 | — | — | WO | disclosed |
| WO-2003101958-A2 | FLOURINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2003-12-11 | — | — | 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 (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-20050043292-A1 | Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors | DPP4, DPP7, ALPI | SIGMAR1 1811/4885GAA 535/4885DRD4 1498/4885 |
| US-20040002609-A1 | Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds | DPP4, DPP3, DPP7 | SIGMAR1 3650/4885GAA 786/4885DRD4 2700/4885 |
| US-20110178323-A1 | METHOD FOR PRODUCING TETRAFLUORO COMPOUND | F9, CA9, TAF9 | SIGMAR1 2231/4885GAA 3766/4885DRD4 1269/4885 |
| US-20040132713-A1 | Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors | DPP4, ALPI, DPP7 | SIGMAR1 1246/4885GAA 660/4885DRD4 1799/4885 |
| US-20040242898-A1 | Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds | DPP4, DPP3, DPP7 | SIGMAR1 3650/4885GAA 786/4885DRD4 2700/4885 |
“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.