Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenol. 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 | 3/20 | 0.69 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.69 |
| ▸ | ESR1 known ✓ | P03372 | 8/20 | 0.42 |
| ▸ | ESR2 known ✓ | Q92731 | 8/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.69 |
| ▸ | CA9 | Q16790 | 3/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.69 |
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | CA3 | P07451 | 2/20 | 0.69 |
| ▸ | CA4 | P22748 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28084399 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL42361 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27329051 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28215094 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL8718742 | 0.97 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL672501 | 0.88 | CA12 (0.69) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL6009739 | 0.87 | CA12 (0.52) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL2861707 | 0.87 | — | — | |
| Phenol SCHEMBL2853834 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL31519853 | 0.87 | CA12 (0.92) | CA12CA2CA9CA14CA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105132557-B | Saliva detection reagent and kit for diagnosing liver cancer | 中山大学附属第三医院 | 2021-02-02 | — | — | CN | claimed |
| CN-107254521-A | lnc‑PCDH9‑13:Application of 1 detection reagent in reagent/kit of diagnosing cancer of liver is prepared | 中山大学附属第三医院 | 2017-10-17 | — | — | CN | claimed |
| CN-107254522-A | Application of the miR 664a 5p detection reagent in diagnosing cancer of liver reagent/kit is prepared | 中山大学附属第三医院 | 2017-10-17 | — | — | CN | claimed |
| CN-105132557-A | Saliva detection reagent and kit for diagnosing liver cancer | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | claimed |
| CN-105132558-A | Saliva detection reagent and kit for diagnosing liver cancer | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | claimed |
| CN-105132559-A | Liver cancer diagnosing reagent and kit using saliva as detection samples | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | claimed |
| CN-105132557-B | Saliva detection reagent and kit for diagnosing liver cancer | 中山大学附属第三医院 | 2021-02-02 | — | — | CN | disclosed |
| CN-107254521-A | lnc‑PCDH9‑13:Application of 1 detection reagent in reagent/kit of diagnosing cancer of liver is prepared | 中山大学附属第三医院 | 2017-10-17 | — | — | CN | disclosed |
| CN-107254522-A | Application of the miR 664a 5p detection reagent in diagnosing cancer of liver reagent/kit is prepared | 中山大学附属第三医院 | 2017-10-17 | — | — | CN | disclosed |
| CN-105274202-A | Liver cancer diagnostic reagent | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2016-01-27 | — | — | CN | disclosed |
| CN-105132557-A | Saliva detection reagent and kit for diagnosing liver cancer | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | disclosed |
| CN-105132558-A | Saliva detection reagent and kit for diagnosing liver cancer | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | disclosed |
| CN-105132559-A | Liver cancer diagnosing reagent and kit using saliva as detection samples | THIRD AFFILIATED HOSPITAL OF SUN YAT SEN UNIVERSITY | 2015-12-09 | — | — | CN | disclosed |