Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Hexestrol. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.79 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.79 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.40 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.40 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 10/20 | 0.79 |
| ▸ | LMNA | P02545 | 3/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | PGR | P06401 | 2/20 | 0.79 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.79 |
| ▸ | AR | P10275 | 2/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.79 |
| ▸ | MAPT | P10636 | 2/20 | 0.79 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Hexestrol SCHEMBL154885 | 0.89 | ESR1 (1.00) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL154886 | 0.89 | ESR1 (1.00) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL209724 | 0.84 | ESR1 (0.61) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL209725 | 0.84 | ESR1 (0.61) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL27352072 | 0.83 | ESR1 (0.79) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL18926564 | 0.81 | ESR1 (0.83) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL17628536 | 0.81 | ESR1 (0.83) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL4254509 | 0.79 | ESR1 (0.54) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL17736720 | 0.79 | ESR1 (0.79) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL14011197 | 0.79 | ESR1 (0.70) | ESR1LMNACYP1A2PGRCHRM2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104080729-A | Mmp-targeted therapeutic and/or diagnostic nanocarriers | MALLINCKRODT INC | 2014-10-01 | — | — | CN | disclosed |
| CN-104039351-A | Methods for treating vascular leak syndrome and cancer | AERPIO THERAPEUTICS INC | 2014-09-10 | — | — | CN | disclosed |
| CN-104039325-A | Use of Bruton's Tyrosine Kinase (BTK) inhibitors | PHARMACYCLICS INC | 2014-09-10 | — | — | CN | disclosed |
| CN-104039355-A | Remote assembly of targeted nanoparticles using complementary oligonucleotide linkers | MALLINCKRODT LLC | 2014-09-10 | — | — | CN | disclosed |
| CN-104023793-A | Combinational Liposome Compositions For Cancer Therapy | MALLINCKRODT LLC | 2014-09-03 | — | — | CN | disclosed |
| CN-101668547-B | Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof | NATURAL PHARMACIA INTERNATIONA | 2014-08-20 | — | — | CN | disclosed |
| CN-1688275-B | Method for preparing microspheres | TANABE SEIYAKU CO | 2012-05-30 | — | — | CN | disclosed |
| CN-101229098-B | Method for preparation of microsphere and apparatus therefor | TANABE SEIYAKU CO | 2012-02-29 | — | — | CN | disclosed |
| CN-101229098-A | Method for preparation of microsphere and apparatus therefor | TANABE SEIYAKU CO (JP) | 2008-07-30 | — | — | CN | disclosed |
| CN-1856484-A | Heteroaryl-tetrahydropyridinyl compounds for the treatment or prevention of pain | EURO CELTIQUE SA (LU) | 2006-11-01 | — | — | CN | disclosed |
| CN-1829708-A | Piperidine compounds and pharmaceutical compositions containing them | EURO CELTIQUE SA (LU) | 2006-09-06 | — | — | CN | disclosed |
| CN-1780850-A | Use of lectins to promote oligomerization of glycoproteins and antigenic molecules | ANTIGENICS INC (US) | 2006-05-31 | — | — | CN | disclosed |
| CN-1688275-A | Method for preparing microspheres and related device | TANABE SEIYAKU CO (JP) | 2005-10-26 | — | — | CN | disclosed |
| CN-1190454-C | Method for preparing microspheres | TANABE SEIYAKU CO (JP) | 2005-02-23 | — | — | CN | disclosed |
| CN-1426433-A | Method for preparing microsphere | TANABE SEIYAKU CO (JP) | 2003-06-25 | — | — | CN | disclosed |
| CN-1330921-A | Method of mfg. slowly-released microball by combined milk process | DOJNGKOOK PHARMACEUTICAL CO LT (KR) | 2002-01-16 | — | — | CN | disclosed |
| CN-1221398-A | Mannitol and its preparation | BAYER AG (DE) | 1999-06-30 | — | — | CN | disclosed |
| CN-1184123-A | Organic optical component | MITSUI TOATSU CHEMICALS (JP) | 1998-06-10 | — | — | CN | disclosed |