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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.43 |
| ▸ | PPARD known ✓ | Q03181 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.53 |
| ▸ | CTSS | P25774 | 4/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL7774670 | 1.00 | CTSK (0.53) | CTSKCTSSCTSLCTSBGABRB1 | |
| Water SCHEMBL8011422 | 1.00 | CTSK (0.53) | CTSKCTSSCTSLCTSBGABRB1 | |
| SCHEMBL12070284 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL13363641 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL144832 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL6166 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL7087412 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL767076 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL335777 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL8886861 | 0.98 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197980-B1 | 4-Acetoxy-2α-benzoyloxy-5β,20-epoxy-1β,7β,10β-trihydroxy-9-oxo-11-taxen-13α-yl(2R,3S)-3-t-butoxycarbonylamino-3-phenyl-2-hydroxypropionate trihydrate | RHONE-POULENC RORER S.A. (FR) | 2001-03-06 | — | — | US | claimed |
| US-6022985-A | Process for the preparation of 4-acetoxy-2α-benzoyloxy-5β, 20-epoxy-1, 7β-10β-trihydroxy-9-oxo-tax-11-en-13α-yl(2R,3S)-3-tert-b utoxy-carbonYlamino-2-hydroxy-3-phenylpropionate trihydrate | RHONE-POULENC RORER S.A. (FR) | 2000-02-08 | — | — | US | claimed |
| EP-0770070-B1 | METHOD FOR PREPARING 4-ACETOXY-2ALPHA-BENZOYLOXY-5ALPHA,20-EPOXY-1,7BETA,10BETA-TRIHYDROXY-9-OXO-TAX-11-EN-13ALPHA-YL(2R,3S)-3-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE TRIHYDRATE | RHONE POULENC RORER SA (FR) | 1998-09-30 | — | — | EP | claimed |
| EP-0690852-B1 | METHOD FOR PURIFYING TAXOIDS | RHONE POULENC RORER SA (FR) | 1997-02-26 | — | — | EP | claimed |
| CN-105999263-B | Materials and methods for treating or preventing human epidermal growth factor receptor-3 (HER-3) related diseases | 第一三共欧洲有限公司 | 2021-06-29 | — | — | CN | disclosed |
| EP-2454246-A2 | SOLVATES OF DOCETAXEL | Przedsiebiorstwo Produkcyjno-Wdrozeniowe (PL) | 2012-05-23 | — | — | EP | disclosed |
| US-20120071674-A1 | SOLVATES OF DOCETAXEL | PRZEDSIEBIORSTWO PRODUKCYJNO-WDROZENIOWE IFOTAM SP. Z O.O. (PL) | 2012-03-22 | — | — | US | disclosed |
| WO-2010138010-A2 | SOLVATES OF 4-ACETOXY-2α-BENZOYLOXY-5β,20-EPOXY-1,7β,10β-TRIHYDROXY-9-OXO-TAX-11 -EN- 13α-YL (2R,3S)-3-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE | Przedsiębiorstwo Produkcyjno-Wdrożeniowe (PL) | 2010-12-02 | — | — | WO | disclosed |
| US-20070142457-A1 | Crystalline forms of docetaxel and processes for their preparation | SICOR, INC. | 2007-06-21 | — | — | US | disclosed |
| CN-1067996-C | Method for preparing 4-acetoxy-2 'alpha'-benzoyloxy-5 'beta', 20-epoxy-1,7 'beta', 10 'beta'-trihydroxy-9-oxo-tax-11-en-13 'alpha'-yl(2R, 3S)-3-tert-butoxycarbonylamino-2-hydroxy-3-phenylpropionate tr | RHONE POULENC RORER SA (FR) | 2001-07-04 | — | — | CN | disclosed |
| US-6022985-A | Process for the preparation of 4-acetoxy-2α-benzoyloxy-5β, 20-epoxy-1, 7β-10β-trihydroxy-9-oxo-tax-11-en-13α-yl(2R,3S)-3-tert-b utoxy-carbonYlamino-2-hydroxy-3-phenylpropionate trihydrate | RHONE-POULENC RORER S.A. (FR) | 2000-02-08 | — | — | US | disclosed |
| US-6022985-A | Process for the preparation of 4-acetoxy-2α-benzoyloxy-5β, 20-epoxy-1, 7β-10β-trihydroxy-9-oxo-tax-11-en-13α-yl(2R,3S)-3-tert-b utoxy-carbonYlamino-2-hydroxy-3-phenylpropionate trihydrate | RHONE-POULENC RORER S.A. (FR) | 2000-02-08 | — | — | US | disclosed |
| EP-0770070-B1 | METHOD FOR PREPARING 4-ACETOXY-2ALPHA-BENZOYLOXY-5ALPHA,20-EPOXY-1,7BETA,10BETA-TRIHYDROXY-9-OXO-TAX-11-EN-13ALPHA-YL(2R,3S)-3-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE TRIHYDRATE | RHONE POULENC RORER SA (FR) | 1998-09-30 | — | — | EP | disclosed |
| CN-1151741-A | Method for preparing 4-acetoxy-2 'alpha'-benzoyloxy-5 'beta', 20-epoxy-1,7 'beta', 10 'beta'-trihydroxy-9-oxo-tax-11-en-13 'alpha'-yl(2R, 3S)-3-tert-butoxycarbonylamino-2-hydroxy-3-phenylpropionate tr | RHONE POULENC RORER SA (FR) | 1997-06-11 | — | — | CN | disclosed |
| EP-0770070-A1 | METHOD FOR PREPARING 4-ACETOXY-2ALPHA-BENZOYLOXY-5ALPHA,20-EPOXY-1,7BETA,10BETA-TRIHYDROXY-9-OXO-TAX-11-EN-13ALPHA-YL(2R,3S)-3-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE TRIHYDRATE | Aventis Pharma S.A. (FR) | 1997-05-02 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120071674-A1 | SOLVATES OF DOCETAXEL | TERT, TBCA, TAF11 | ACE 525/4885PPARD 922/4885CTSK 2382/4885 |
| US-20070142457-A1 | Crystalline forms of docetaxel and processes for their preparation | RCC1, TBCD, CDC45 | ACE 2784/4885PPARD 2245/4885CTSK 970/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.