Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Valine. 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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.39 |
| ▸ | GABRP known ✓ | O00591 | 2/20 | 0.36 |
| ▸ | GABRD known ✓ | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 known ✓ | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 known ✓ | P48169 | 2/20 | 0.36 |
| ▸ | GABRE known ✓ | P78334 | 2/20 | 0.36 |
| ▸ | GABRA6 known ✓ | Q16445 | 2/20 | 0.36 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 2/20 | 0.36 |
| ▸ | GABRG3 known ✓ | Q99928 | 2/20 | 0.36 |
| ▸ | GABRQ known ✓ | Q9UN88 | 2/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.94 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Valine SCHEMBL16893970 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL14637050 | 1.00 | — | — | |
| Valine SCHEMBL16893971 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL3426769 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL132740 | 1.00 | — | — | |
| Valine SCHEMBL245432 | 1.00 | — | — | |
| Valine SCHEMBL23777447 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL3402665 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL9439900 | 1.00 | SLC7A5 (0.94) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 | |
| Valine SCHEMBL351273 | 0.97 | SLC7A5 (0.88) | SLC7A5SLC1A3SLC1A2SLC1A1TP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102391356-A | Steroid n-glycoside analogue taking dihydro-pyranoid ring as D ring and preparation and application thereof | UNIV ZHENGZHOU | 2012-03-28 | — | — | CN | claimed |
| CN-102391356-A | Steroid n-glycoside analogue taking dihydro-pyranoid ring as D ring and preparation and application thereof | UNIV ZHENGZHOU | 2012-03-28 | — | — | CN | disclosed |
| US-4649218-A | ANTIDEPRESSANTS, ION SELECTIVE ELECTRODES, BATTERIES | YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) | 1987-03-10 | — | — | US | disclosed |
| US-4379146-A | Substituted phosphonamides as antihypertensives | MERCK & CO., INC. (US) | 1983-04-05 | — | — | US | disclosed |
| EP-0058427-A2 | Substituted phosphonamides, a process for preparing the same and a pharmaceutical composition which is useful in the treatment of hypertension | MERCK & CO. INC. (US) | 1982-08-25 | — | — | EP | disclosed |