Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 9/20 | 0.79 |
| ▸ | ESR2 known ✓ | Q92731 | 7/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | PGR | P06401 | 1/20 | 0.79 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.79 |
| ▸ | AR | P10275 | 1/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.79 |
| ▸ | MAPT | P10636 | 1/20 | 0.79 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.79 |
| ▸ | DRD1 | P21728 | 1/20 | 0.79 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.79 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.79 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
| Hexestrol SCHEMBL17628536 | 0.85 | ESR1 (0.83) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL27496510 | 0.83 | ESR1 (0.79) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL5343036 | 0.82 | ESR1 (0.64) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL211664 | 0.82 | ESR1 (0.63) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL211665 | 0.82 | ESR1 (0.63) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL18926564 | 0.81 | ESR1 (0.83) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1330921-A | Method of mfg. slowly-released microball by combined milk process | DOJNGKOOK PHARMACEUTICAL CO LT (KR) | 2002-01-16 | — | — | CN | disclosed |
| CN-1057670-C | Prolonged release preparation and polymers thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-10-25 | — | — | CN | disclosed |
| CN-1221398-A | Mannitol and its preparation | BAYER AG (DE) | 1999-06-30 | — | — | CN | disclosed |
| CN-1043189-C | Method for preparing sustained-release medicament | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-05-05 | — | — | CN | disclosed |
| CN-1116212-A | Prolonged release preparation and polymers thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-02-07 | — | — | CN | disclosed |
| CN-1060851-A | Sustained release formulations and polymers thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-05-06 | — | — | CN | disclosed |