Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetonitrile. 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL27949872 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28253723 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28167266 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10790879 | 0.88 | — | — | |
| Acetonitrile SCHEMBL2170891 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27901694 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27516310 | 0.88 | — | — | |
| Acetonitrile SCHEMBL18838615 | 0.88 | — | — | |
| Acetonitrile SCHEMBL15638047 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116448860-A | Norfloxacin sensor, preparation method and detection method thereof | 成都师范学院 | 2023-07-18 | — | — | CN | claimed |
| CN-113248772-A | Microfluidic preparation method of porous polyhydroxyalkanoate polymer microspheres, porous polymer microspheres prepared by microfluidic preparation method and application of porous polyhydroxyalkanoate polymer microspheres | 中国科学院广州生物医药与健康研究院 | 2021-08-13 | — | — | CN | claimed |
| CN-109206554-B | Ion imprinted polymer material for photo-reduction of hexavalent chromium and preparation and application thereof | 华中科技大学 | 2020-10-16 | — | — | CN | claimed |
| CN-109206554-A | A kind of ion imprinted polymer material of photo-reduction Cr VI and its preparation and application | 华中科技大学 | 2019-01-15 | — | — | CN | claimed |
| CN-118294561-A | Method for measuring methanesulfonate in transdermal patch by derivatization HPLC-UV method | 上海世领制药有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-116448860-A | Norfloxacin sensor, preparation method and detection method thereof | 成都师范学院 | 2023-07-18 | — | — | CN | disclosed |
| CN-115754100-A | Extraction and detection method of polycyclic aromatic hydrocarbon | 重庆市食品药品检验检测研究院 | 2023-03-07 | — | — | CN | disclosed |
| CN-115754100-A | Extraction and detection method of polycyclic aromatic hydrocarbon | 重庆市食品药品检验检测研究院 | 2023-03-07 | — | — | CN | disclosed |
| CN-110156761-B | Compound containing coumarin-biphenyl skeleton, preparation method and application thereof | 郑州大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111154035-B | Tree-shaped molecular imprinting material and preparation method and application thereof | 深圳市易瑞生物技术股份有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-113347963-A | Pharmaceutical composition comprising tamsulosin hydrochloride having excellent acid resistance and method for preparing the same | 韩美药品株式会社 | 2021-09-03 | — | — | CN | disclosed |
| CN-113248772-A | Microfluidic preparation method of porous polyhydroxyalkanoate polymer microspheres, porous polymer microspheres prepared by microfluidic preparation method and application of porous polyhydroxyalkanoate polymer microspheres | 中国科学院广州生物医药与健康研究院 | 2021-08-13 | — | — | CN | disclosed |
| CN-108456154-A | A kind of preparation method of N- tertbutyloxycarbonyls alkyl guanidine | 昆明理工大学 | 2018-08-28 | — | — | CN | disclosed |
| CN-107235913-A | The method of commercial scale high efficiency manufacture high-quality flibanserin | 苏州科伦药物研究有限公司 | 2017-10-10 | — | — | CN | disclosed |
| US-20100004403-A1 | High-Molecular Weight Conjugate of Combretastatins | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-2042195-A1 | POLYMER CONJUGATE OF COMBRETASTATIN | Nippon Kayaku Kabushiki Kaisha (JP) | 2009-04-01 | — | — | EP | disclosed |
| CN-1100750-C | 15-deacetylated-13-amino acid substituted hypocrellin and its preparation | INST OF PHOTOCHEMISTRY CHINESE (CN) | 2003-02-05 | — | — | CN | disclosed |
| CN-1089755-C | Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents | PHARMACIA & UPJOHN SPA (IT) | 2002-08-28 | — | — | CN | disclosed |
| CN-1299810-A | 15-deacetylated-13-amino acid substituted hypocrellin and its preparation | INST OF PHOTOCHEMISTRY CHINESE (CN) | 2001-06-20 | — | — | CN | disclosed |
| CN-1222144-A | Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents | PHARMACIA & UPJOHN SPA (IT) | 1999-07-07 | — | — | CN | disclosed |