Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 5/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1486144 | 0.98 | MEN1 (0.46) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL8500219 | 0.98 | MEN1 (0.46) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL1000860 | 0.98 | MEN1 (0.46) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL999017 | 0.98 | MEN1 (0.46) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL17906 | 0.90 | MEN1 (0.52) | MEN1KMT2AGAATDP1MAOA | |
| Methane SCHEMBL1486197 | 0.88 | MEN1 (0.50) | MEN1KMT2AGAATDP1MAOA | |
| Hydrochloric Acid SCHEMBL77819 | 0.88 | MEN1 (0.50) | MEN1KMT2AGAATDP1MAOA | |
| Ammonia Solution, Strong SCHEMBL28788409 | 0.88 | MEN1 (0.50) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL9464092 | 0.88 | MEN1 (0.50) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL6679504 | 0.88 | MEN1 (0.50) | MEN1KMT2AGAATDP1MAOA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676471-B1 | Effector proteins of rapamycin | WYETH CORP (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20040157775-A1 | Effector proteins of rapamycin | WYETH | 2004-08-12 | — | — | US | disclosed |
| US-6713607-B2 | NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE TREATMENT OF RESTENOSIS AND TUMORS | WYETH | 2004-03-30 | — | — | US | disclosed |
| US-20030032775-A1 | Effector proteins of rapamycin | AMERICAN HOME PRODUCTS | 2003-02-13 | — | — | US | disclosed |
| US-6313264-B1 | POLYPEPTIDE; FOR USE IN TREATMENT OF SOLID TUMORS, LEUKEMIA,FUNGAL INFECTIONS, RESTENOSIS, ATHEROSCLEROSIS, AUTOIMMUNE AND INFLAMMATORY DISEASES | AMERICAN HOME PRODUCTS CORPORATION | 2001-11-06 | — | — | US | disclosed |
| EP-0676471-A2 | Effector proteins of rapamycin | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-10-11 | — | — | EP | disclosed |