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 | |
|---|---|---|---|---|
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.38 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 6/20 | 0.55 |
| ▸ | USP7 | Q93009 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3838310 | 0.99 | DHFR (0.56) | DHFRUSP7ERCC1ERCC4CCNC | |
| SCHEMBL4480079 | 0.84 | DHFR (0.50) | DHFRUSP7ADORA2AADORA1IRAK4 | |
| SCHEMBL29430376 | 0.81 | DHFR (0.48) | DHFRADORA1 | |
| SCHEMBL4477257 | 0.81 | DHFR (0.48) | DHFRADORA1 | |
| SCHEMBL29430452 | 0.81 | DHFR (0.52) | DHFRCDK8ADORA2AADORA1IRAK4 | |
| SCHEMBL4484684 | 0.81 | DHFR (0.52) | DHFRCDK8ADORA2AADORA1IRAK4 | |
| SCHEMBL4475379 | 0.80 | DHFR (0.48) | DHFRUSP7 | |
| SCHEMBL29430369 | 0.80 | DHFR (0.48) | DHFRUSP7 | |
| SCHEMBL4493218 | 0.80 | DHFR (0.46) | DHFR | |
| SCHEMBL29430450 | 0.80 | DHFR (0.46) | DHFR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10259826-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2019-04-16 | — | — | US | disclosed |
| US-20180072756-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2018-03-15 | — | — | US | disclosed |
| US-20120253039-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | US | disclosed |
| US-7582648-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2009-09-01 | — | — | US | disclosed |
| US-20080312438-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| US-7452879-B2 | N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070167439-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2007-07-19 | — | — | US | disclosed |
| US-20050234049-A1 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | MIDCAP FINANCIAL TRUST | 2005-10-20 | — | — | 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 (6 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-10259826-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | SSB, TPMT, ADAR | SRC 4860/4885PDE3B 561/4885PDE3A 622/4885 |
| US-20120253039-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | SRC 4860/4885PDE3B 561/4885PDE3A 622/4885 |
| US-20180072756-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | SRC 4860/4885PDE3B 561/4885PDE3A 622/4885 |
| US-20070167439-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | SRC 4844/4885PDE3B 1425/4885PDE3A 1707/4885 |
| US-20080312438-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | SRC 4844/4885PDE3B 1425/4885PDE3A 1707/4885 |
| US-20050234049-A1 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | SSB, HRH4, TLR7 | SRC 4842/4885PDE3B 2729/4885PDE3A 3290/4885 |
“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.