Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Estramustine. 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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.79 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.68 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 2/20 | 0.93 |
| ▸ | BLM | P54132 | 2/20 | 0.93 |
| ▸ | ESR1 | P03372 | 6/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.79 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.79 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.79 |
| ▸ | DRD1 | P21728 | 1/20 | 0.79 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.79 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | ATM | Q13315 | 2/20 | 0.68 |
| ▸ | PGR | P06401 | 2/20 | 0.68 |
| ▸ | AR | P10275 | 2/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.68 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Estramustine SCHEMBL3625800 | 1.00 | RECQL (0.93) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL8342744 | 1.00 | RECQL (0.93) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL36761 | 1.00 | RECQL (0.93) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL15710412 | 0.99 | RECQL (0.92) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL7200287 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL13753350 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL6353316 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL29349776 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL29374661 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 | |
| Estramustine SCHEMBL4252 | 0.97 | RECQL (1.00) | RECQLBLMESR1ADORA3INPPL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020130119-A1 | WNT SIGNALING PATHWAY INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | disclosed |
| WO-2020130120-A1 | CANCER METASTASIS INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | disclosed |
| CN-101297982-B | Medical device coating having anti-thrombotic conjugate | CORDIS CORP | 2013-08-14 | — | — | CN | disclosed |
| CN-101297982-A | A medical device coating having an anti-thrombotic conjugate | CORDIS CORP (US) | 2008-11-05 | — | — | CN | disclosed |