Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL1508842 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| Acetonitrile SCHEMBL1170814 | 0.93 | ALDH1A1 (0.38) | ALDH1A1 | |
| Acetonitrile SCHEMBL203210 | 0.93 | ALDH1A1 (0.38) | ALDH1A1 | |
| Acetonitrile SCHEMBL5210744 | 0.91 | — | — | |
| Acetonitrile SCHEMBL27516297 | 0.90 | ALDH1A1 (0.35) | ALDH1A1 | |
| Isopropyl Alcohol SCHEMBL27685346 | 0.89 | CYP1A2 (0.32) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| Phosphoric Acid SCHEMBL27635386 | 0.87 | FDPS (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Phosphoric Acid SCHEMBL28127349 | 0.87 | FDPS (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL27616258 | 0.87 | CHRM2 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28852996 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107843670-B | Method for determining related substances of tetracaine hydrochloride | 江苏九旭药业有限公司 | 2020-08-25 | — | — | CN | claimed |
| CN-107843670-A | A kind of assay method of tetracaine hydrochloride about material | 江苏九旭药业有限公司 | 2018-03-27 | — | — | CN | claimed |
| CN-118239853-A | Preparation method and application of tetracaine hapten, artificial antigen and tetracaine monoclonal antibody | 华南农业大学 | 2024-06-25 | — | — | CN | disclosed |
| CN-117327082-A | Preparation method of tetrandrine | 浙江耐司康药业有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-117233307-A | Detection method and application of tetracaine hydrochloride related substances in compound tetracaine cream | 南京逐陆医药科技有限公司 | 2023-12-15 | — | — | CN | disclosed |
| CN-115144497-A | Detection method of tetrandrine substances | 浙江金华康恩贝生物制药有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-113185527-B | Method for separating tetrandrine and tetrandrine | 浙江耐司康药业有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-113185527-A | Method for separating tetrandrine and tetrandrine | 浙江耐司康药业有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-109674756-B | Clenbuterol hydrochloride tablet and preparation method thereof | 河北君临药业有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-107843670-B | Method for determining related substances of tetracaine hydrochloride | 江苏九旭药业有限公司 | 2020-08-25 | — | — | CN | disclosed |
| CN-107843670-B | Method for determining related substances of tetracaine hydrochloride | 江苏九旭药业有限公司 | 2020-08-25 | — | — | CN | disclosed |
| CN-110907582-A | Method for detecting celecoxib-related impurities and application thereof | 天津药物研究院有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-107843670-A | A kind of assay method of tetracaine hydrochloride about material | 江苏九旭药业有限公司 | 2018-03-27 | — | — | CN | disclosed |
| US-8404841-B2 | Process for the preparation of statins and their pharmaceutically acceptable salts thereof | MSN LABORATORIES LIMITED (IN) | 2013-03-26 | — | — | US | disclosed |
| US-20100056783-A1 | Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof | MSN LABORATORIES LIMITED (IN) | 2010-03-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100056783-A1 | Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof | HMGCR, PCSK9, NPC1L1 | CHRM2 4002/4885CHRM4 3682/4885CHRM5 3966/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.