Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isopropyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28655743 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL358027 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL6031064 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL1807773 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL6839772 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL8814180 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL1279486 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL28376616 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL1677605 | 0.86 | ALDH1A1 (0.55) | — | |
| Isopropyl Alcohol SCHEMBL4237313 | 0.86 | ALDH1A1 (0.55) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113398072-B | Cefazolin sodium for injection and preparation method thereof | 广东金城金素制药有限公司 | 2023-03-07 | — | — | CN | claimed |
| CN-111196778-B | Synthetic method of 3-ethylamino pyrrole compound | 郑州轻工业大学 | 2022-08-19 | — | — | CN | claimed |
| CN-113398072-A | Cefazolin sodium for injection and preparation method thereof | 广东金城金素制药有限公司 | 2021-09-17 | — | — | CN | claimed |
| CN-110818643-B | Preparation method of 2-amino-4, 6-dimethoxypyrimidine | 新发药业有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-110218189-B | Abelide intermediate and simple preparation method of Abelide | 新发药业有限公司 | 2020-10-30 | — | — | CN | claimed |
| CN-111196778-A | Synthetic method of 3-ethylamino pyrrole compound | 郑州轻工业大学 | 2020-05-26 | — | — | CN | claimed |
| CN-110818643-A | Preparation method of 2-amino-4, 6-dimethoxypyrimidine | 新发药业有限公司 | 2020-02-21 | — | — | CN | claimed |
| CN-111454391-B | Modified PVA resin and preparation method and application thereof | 广州鹿山新材料股份有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-115974717-A | Heptafluoroisopropyl-containing bisamide compound and intermediate compound thereof, and preparation method and application thereof | 浙江宇龙药业有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113398072-B | Cefazolin sodium for injection and preparation method thereof | 广东金城金素制药有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-111196778-B | Synthetic method of 3-ethylamino pyrrole compound | 郑州轻工业大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-113398072-A | Cefazolin sodium for injection and preparation method thereof | 广东金城金素制药有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-110818643-B | Preparation method of 2-amino-4, 6-dimethoxypyrimidine | 新发药业有限公司 | 2021-04-16 | — | — | CN | disclosed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020013460-A1 | Condensed pyridine compound | EISAI CO., LTD | 2002-01-31 | — | — | US | disclosed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |
| EP-0159666-B1 | ANTIHYPERTENSIVE 1,2-BENZISOTHIAZOLE PIPERIDINES, A METHOD FOR SYNTHESIZING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-06-14 | — | — | EP | disclosed |
| EP-0159666-A2 | Antihypertensive 1,2-Benzisothiazole Piperidines, a method for synthesizing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-10-30 | — | — | EP | disclosed |
| US-4528292-A | Antihypertensive 1,2-benzisothiazole piperidines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-07-09 | — | — | US | disclosed |