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 | |
|---|---|---|---|---|
| ▸ | S1PR4 known ✓ | O95977 | 2/20 | 0.46 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.45 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3441850 | 0.94 | S1PR4 (0.50) | L3MBTL1S1PR4MAPTPOLBALDH1A1 | |
| SCHEMBL17538479 | 0.84 | CSNK2A1 (0.47) | L3MBTL1S1PR4MAPTPOLBALDH1A1 | |
| SCHEMBL17525544 | 0.83 | MAPT (0.50) | L3MBTL1MAPTPOLBALDH1A1KDM4E | |
| SCHEMBL22099991 | 0.81 | MAPT (0.60) | L3MBTL1MAPTPOLBALDH1A1KDM4E | |
| SCHEMBL2227815 | 0.80 | MAPT (0.50) | L3MBTL1S1PR4MAPTPOLBALDH1A1 | |
| SCHEMBL6275090 | 0.79 | GAA (0.42) | L3MBTL1MAPTPOLBALDH1A1KDM4E | |
| SCHEMBL22498464 | 0.79 | ALDH1A1 (0.52) | L3MBTL1MAPTPOLBALDH1A1KDM4E | |
| SCHEMBL12518428 | 0.79 | KDM4E (0.42) | L3MBTL1MAPTPOLBALDH1A1KDM4E | |
| SCHEMBL1928573 | 0.79 | KDM4E (0.58) | L3MBTL1S1PR4MAPTPOLBALDH1A1 | |
| SCHEMBL29835049 | 0.79 | ALDH1A1 (0.45) | L3MBTL1MAPTPOLBALDH1A1KDM4E |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3354646-A1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Celgene Corporation (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-2985281-B1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | CELGENE CORP (US) | 2017-12-27 | — | — | EP | disclosed |
| US-9796698-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170088538-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2017-03-30 | — | — | US | disclosed |
| US-9550766-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2017-01-24 | — | — | US | disclosed |
| US-20160115161-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2016-04-28 | — | — | US | disclosed |
| EP-2985281-A2 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Celgene Corporation (US) | 2016-02-17 | — | — | EP | disclosed |
| US-9227954-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2016-01-05 | — | — | US | disclosed |
| EP-2358697-B1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER. | CELGENE CORP (US) | 2015-10-21 | — | — | EP | disclosed |
| US-20130045976-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION (US) | 2013-02-21 | — | — | US | disclosed |
| US-8318773-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120252843-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2012-10-04 | — | — | US | disclosed |
| US-8222249-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-07-17 | — | — | US | disclosed |
| US-20120122865-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2012-05-17 | — | — | US | disclosed |
| US-8129375-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-03-06 | — | — | US | disclosed |
| EP-2358697-A1 | Isoindoline compounds for use in the treatment of cancer | CELGENE CORPORATION (US) | 2011-08-24 | — | — | EP | disclosed |
| US-20100204227-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2010-08-12 | — | — | US | disclosed |
| WO-2010053732-A1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | CELGENE CORPORATION (US) | 2010-05-14 | — | — | 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 (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-20170088538-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
| US-20100204227-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
| US-20120252843-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
| US-20120122865-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
| US-20130045976-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
| US-20160115161-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | S1PR4 4050/4885GAA 560/4885GLA 2652/4885 |
“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.