Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isatin. 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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 6/20 | 0.95 |
| ▸ | MAOB known ✓ | P27338 | 6/20 | 0.95 |
| ▸ | ACVR1 known ✓ | Q04771 | 2/20 | 0.64 |
| ▸ | PDGFRA known ✓ | P16234 | 1/20 | 0.64 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.64 |
| ▸ | FER | P16591 | 1/20 | 0.64 |
| ▸ | LTK | P29376 | 1/20 | 0.64 |
| ▸ | CDK8 | P49336 | 1/20 | 0.64 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.64 |
| ▸ | CASP3 | P42574 | 1/20 | 0.60 |
| ▸ | CASP2 | P42575 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.60 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.60 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | TGM2 | P21980 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Isatin SCHEMBL28860916 | 1.00 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL28441354 | 1.00 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL34016 | 0.98 | MAOA (1.00) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL973760 | 0.98 | MAOA (1.00) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL23256320 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL1590864 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL4092377 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL7061560 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL2259764 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA | |
| Isatin SCHEMBL11646710 | 0.95 | MAOA (0.95) | MAOAMAOBLRRK2ACVR1PDGFRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539273-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2022-05-27 | — | — | CN | claimed |
| CN-113161492-B | Preparation method based on micromolecular passivation perovskite solar cell | 上海交通大学 | 2023-08-25 | — | — | CN | disclosed |