Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Amifostine. 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 | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.96 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.96 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.44 |
| ▸ | CASP2 | P42575 | 2/20 | 0.44 |
| ▸ | F13A1 | P00488 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| Amifostine SCHEMBL1231172 | 1.00 | BLM (0.96) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL317195 | 1.00 | BLM (0.96) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL4709602 | 0.98 | BLM (1.00) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL18464 | 0.98 | BLM (1.00) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL4732534 | 0.96 | BLM (0.96) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL4562808 | 0.96 | BLM (0.96) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL4383022 | 0.96 | BLM (0.96) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL20213780 | 0.94 | BLM (0.93) | BLMDRD3CA12CA2CA4 | |
| Amifostine SCHEMBL9614263 | 0.93 | DRD3 (0.89) | BLMDRD3CA12CA2CA4 | |
| Water SCHEMBL29549416 | 0.92 | BLM (0.82) | BLMDRD3CA12CA2CA4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007096901-A1 | NOVEL DIHYDRATE FORM OF AMIFOSTINE AND PROCESS FOR ITS PREPARATION | NATCO PHARMA LIMITED (IN) | 2007-08-30 | — | — | WO | claimed |
| WO-2007047315-A1 | AMIFOSTINE DIHYDRATE CRYSTALLINE COMPOSITION | ALBEMARLE CORPORATION (US) | 2007-04-26 | — | — | WO | claimed |
| CN-112745347-B | Preparation method of amifostine trihydrate | 重庆大学附属肿瘤医院 | 2021-11-23 | — | — | CN | disclosed |
| CN-112745347-A | Preparation method of amifostine trihydrate | 青岛联吉生物医疗科技有限公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-104530119-A | Preparation method and application of amifostine dihydrate | UNIV DALIAN TECH | 2015-04-22 | — | — | CN | disclosed |
| CN-104530119-A | Preparation method and application of amifostine dihydrate | UNIV DALIAN TECH | 2015-04-22 | — | — | CN | disclosed |
| WO-2007096901-A1 | NOVEL DIHYDRATE FORM OF AMIFOSTINE AND PROCESS FOR ITS PREPARATION | NATCO PHARMA LIMITED (IN) | 2007-08-30 | — | — | WO | disclosed |
| WO-2007047315-A1 | AMIFOSTINE DIHYDRATE CRYSTALLINE COMPOSITION | ALBEMARLE CORPORATION (US) | 2007-04-26 | — | — | WO | disclosed |
| WO-2007047315-A1 | AMIFOSTINE DIHYDRATE CRYSTALLINE COMPOSITION | ALBEMARLE CORPORATION (US) | 2007-04-26 | — | — | WO | disclosed |