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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.40 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.38 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 9/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL43970 | 0.98 | PTPN1 (0.42) | PTPN1MAPK1CA2DNMT1PTGS1 | |
| Hydrochloric Acid SCHEMBL6934814 | 0.93 | GPR84 (0.44) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL6939609 | 0.93 | GPR84 (0.43) | PTPN1MAPK1DNMT1PTGS1PTGS2 | |
| SCHEMBL30634818 | 0.92 | GPR84 (0.46) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL1574549 | 0.92 | GPR84 (0.46) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL6940135 | 0.92 | GPR84 (0.46) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL6934782 | 0.92 | GPR84 (0.46) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL43883 | 0.92 | GPR84 (0.46) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL258485 | 0.90 | GPR84 (0.44) | DNMT1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL258604 | 0.90 | GPR84 (0.44) | DNMT1PTGS1PTGS2MGLLFAAH |
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-9522194-B2 | Methods of using monomethylvaline compositions having phenylalanine carboxy modifications at the C-terminus | SEATTLE GENETICS, INC. (US) | 2016-12-20 | — | — | US | disclosed |
| US-20150044238-A1 | METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2015-02-12 | — | — | US | disclosed |
| US-8871720-B2 | Monomethylvaline compounds having phenylalanine carboxy modifications at the C-terminus | SEATTLE GENETICS, INC. (US) | 2014-10-28 | — | — | US | disclosed |
| US-20090111756-A1 | Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus | SEATTLE GENECTICS, INC. (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090098076-A1 | Method For the Production of a Keratin-Binding Effector Molecule | BASF SE (DE) | 2009-04-16 | — | — | US | disclosed |
| US-20090098074-A1 | Keratin-Binding Effector Molecules Containing Reactive Dyes | BASF SE (DE) | 2009-04-16 | — | — | US | disclosed |
| CN-101365493-A | Keratin-binding effector molecules, and method for the production thereof | BASF AG (DE) | 2009-02-11 | — | — | CN | disclosed |
| WO-2007008848-A2 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |
| EP-1016659-B1 | Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides | DAINIPPON INK & CHEMICALS (JP) | 2003-09-24 | — | — | EP | disclosed |
| US-6169186-B1 | LIQUID CRYSTALS AND LIQUID CRYSTALLINE POLYMERS | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-1016659-A1 | Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-07-05 | — | — | 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 (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-20090111756-A1 | Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus | MMAB, PTMS, CAD | CA2 2754/4885PTGS1 4735/4885PTGS2 4802/4885 |
| US-20090098074-A1 | Keratin-Binding Effector Molecules Containing Reactive Dyes | KRT18, KLK3, KLKB1 | CA2 2620/4885PTGS1 4094/4885PTGS2 4197/4885 |
| US-20150044238-A1 | METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS | MARS1, PTMS, L3MBTL1 | CA2 2606/4885PTGS1 4220/4885PTGS2 4794/4885 |
| US-20090098076-A1 | Method For the Production of a Keratin-Binding Effector Molecule | KRT18, KRTCAP2, CUTA | CA2 2206/4885PTGS1 2192/4885PTGS2 2570/4885 |
“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.