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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.59 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.58 |
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | LTA4H | P09960 | 2/20 | 0.62 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL13886600 | 0.98 | NPC1 (0.76) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| Bromide SCHEMBL9512696 | 0.96 | NPC1 (0.73) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL1049423 | 0.92 | NPC1 (0.67) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL13886620 | 0.89 | HTR2A (0.68) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL1586637 | 0.87 | HTR2A (0.66) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL922177 | 0.87 | NPC1 (0.70) | NPC1RAB9ALTA4HFFAR1TAAR1 | |
| SCHEMBL9456979 | 0.86 | NPC1 (0.80) | NPC1RAB9ALTA4HFFAR1CA12 | |
| SCHEMBL450741 | 0.86 | HTR2A (0.63) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| Hydrochloric Acid SCHEMBL4449735 | 0.85 | MAOB (0.73) | RAB9ASMN1; SMN2MAOB | |
| SCHEMBL6342076 | 0.85 | RAB9A (1.00) | NPC1RAB9ALTA4HFFAR1SMN1; SMN2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090105347-A1 | THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-04-23 | — | — | US | disclosed |
| US-7355079-B2 | Thyronamine derivatives and analogs and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-04-08 | — | — | US | disclosed |
| US-7339079-B2 | Thyronamine derivatives and analogs and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-03-04 | — | — | US | disclosed |
| US-7321065-B2 | Thyronamine derivatives and analogs and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-01-22 | — | — | US | disclosed |
| EP-1625111-A4 | THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF | UNIV CALIFORNIA (US) | 2007-04-25 | — | — | EP | disclosed |
| US-20060035980-A1 | Thyronamine derivatives and analogs and methods of use thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-02-16 | — | — | US | disclosed |
| EP-1625111-A2 | THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-02-15 | — | — | EP | disclosed |
| US-6979750-B1 | Thyronamine derivatives and analogs and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-12-27 | — | — | US | disclosed |
| US-20050267207-A1 | Thyronamine derivatives and analogs and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-12-01 | — | — | US | disclosed |
| US-20050096485-A1 | Thyronamine derivatives and analogs and methods of use thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-05-05 | — | — | US | disclosed |
| WO-2004093800-A2 | THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-11-04 | — | — | 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-20090105347-A1 | THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF | TPO, TSHR, THRB | HTR2A 426/4885CA2 1659/4885MAOB 124/4885 |
| US-20060035980-A1 | Thyronamine derivatives and analogs and methods of use thereof | TPO, TSHR, THRB | HTR2A 460/4885CA2 1735/4885MAOB 131/4885 |
| US-20050096485-A1 | Thyronamine derivatives and analogs and methods of use thereof | TPO, TSHR, THRB | HTR2A 426/4885CA2 1659/4885MAOB 124/4885 |
| US-20050267207-A1 | Thyronamine derivatives and analogs and methods of use thereof | TPO, TSHR, THRB | HTR2A 460/4885CA2 1735/4885MAOB 131/4885 |
“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.