Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenibut. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.68 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.53 |
| ▸ | GABBR2 | O75899 | 6/20 | 0.96 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | THRB | P10828 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Phenibut SCHEMBL22831453 | 1.00 | GABBR2 (0.96) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Phenibut SCHEMBL27912811 | 0.98 | GABBR2 (0.92) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Phenibut SCHEMBL340838 | 0.98 | GABBR2 (1.00) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Phenibut SCHEMBL9545047 | 0.98 | GABBR2 (1.00) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Phenibut SCHEMBL351501 | 0.98 | GABBR2 (1.00) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Phenibut SCHEMBL28119792 | 0.96 | GABBR2 (0.89) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7092228 | 0.87 | GABBR2 (0.73) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| SCHEMBL503819 | 0.85 | GABBR2 (0.76) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| SCHEMBL27691658 | 0.84 | GABBR2 (0.75) | GABBR2GABBR1LMNACYP2C9CYP2C19 | |
| Arbaclofen SCHEMBL1417519 | 0.83 | GABBR2 (0.96) | GABBR2GABBR1LMNACYP2C9CYP2C19 |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112480157-B | O-carborane derivative for assisting BNCT and synthetic method thereof | 淮南科威生物科技有限公司 | 2022-10-11 | — | — | CN | claimed |
| CN-112480157-A | O-carborane derivative for assisting BNCT and synthetic method thereof | 南京艾斯特医药科技有限公司 | 2021-03-12 | — | — | CN | claimed |
| CN-111393312-A | Preparation method for synthesizing 4-amino-3-phenylbutyric acid hydrochloride by one-pot method and product prepared by same | 福建科宏生物工程股份有限公司 | 2020-07-10 | — | — | CN | claimed |
| CN-107188808-A | A kind of synthetic method of the phenylbutyric acid hydrochloride of 4 amino 3 | 江苏斯威森生物医药工程研究中心有限公司 | 2017-09-22 | — | — | CN | claimed |
| CN-206417438-U | A kind of hydrochloric acid tank for being used to prepare the phenylbutyric acid hydrochloride of 4 amino 3 | 浙江邦成化工有限公司 | 2017-08-18 | — | — | CN | claimed |
| CN-103232356-B | Technology for preparing 3-phenyl-4-aminobutyric acid hydrochloride | 天津金族科技有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-105532684-A | Weed killer for tea garden | YANTAI SHUNLONG CHEMICAL TECH CO LTD | 2016-05-04 | — | — | CN | claimed |
| CN-104402746-B | A kind of synthetic method of 4-Amino-3-phenylbutyric acid hydrochloride | SHAANXI JIAHE PHYTOCHEM CO., LTD. (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-105153006-A | Synthetic method for 4-phenyl-2-pyrrolidone | CHANGZHOU QIANGDA BAOCHENG CHEMICAL ENGINEERING CO LTD | 2015-12-16 | — | — | CN | claimed |
| CN-104478745-A | Synthetic method for 4-amino-3-phenylbutyric acid hydrochloride | SHAANXI JIAHE PHYTOCHEM CO LTD | 2015-04-01 | — | — | CN | claimed |
| CN-104402746-A | Synthetic method for 4-amino-3-phenylbutyric acid hydrochloride | SHAANXI JIAHE PHYTOCHEM CO LTD | 2015-03-11 | — | — | CN | claimed |
| CN-103232356-A | Technology for preparing 3-phenyl-4-aminobutyric acid hydrochloride | TIANJIN JUDE TECHNOLOGY CO LTD | 2013-08-07 | — | — | CN | claimed |
| CN-101914051-B | Synthesis method of 3-phenyl pyrroline derivatives with optical isomerism purity | JIAXING EPOCHEM PHARMTECH CO LTD | 2013-03-13 | — | — | CN | claimed |
| CN-101033195-A | Method of preparing 4-amino-3-phenyl butyric hydrochloride | ANHUI KELIAN IND CO LTD (CN) | 2007-09-12 | — | — | CN | claimed |
| CN-117000216-B | Chelating agent, industrial treatment system and treatment method for desulfurization wastewater of coal-fired power plant | 国能龙源环保有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-117000216-A | Chelating agent, industrial treatment system and treatment method for desulfurization wastewater of coal-fired power plant | 国能龙源环保有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-112480157-B | O-carborane derivative for assisting BNCT and synthetic method thereof | 淮南科威生物科技有限公司 | 2022-10-11 | — | — | CN | disclosed |
| EP-1659182-A1 | METHOD FOR PRODUCING OLIGOSACCHARIDE CHITOSAN AND OLIGOSACCHARIDE CHITOSAN | Obschestvo s Ogranichennoy Otvetstvennost'yu "Invest-Pharm" (RU) | 2006-05-24 | — | — | EP | disclosed |
| US-20030099636-A1 | Curing method for pathologic syndrome and medicinal preparation | EPSHTEIN, OLEG I. (RU) | 2003-05-29 | — | — | US | disclosed |
| US-3947492-A | Process for producing β-phenyl-γ-amino butyric acid hydrochloride | PEREKALIN VSEVOLOD VASILIEVICH | 1976-03-30 | — | — | US | disclosed |