Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 SCHEMBL27893094 | 0.94 | — | — | |
| Acetonitrile SCHEMBL28602021 | 0.94 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL28310974 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27901694 | 0.88 | — | — | |
| Acetonitrile SCHEMBL2170891 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.87 | TSHR (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0617047-B1 | Dye-labelled phosphoramadites | PE CORP NY (US) | 2001-07-18 | — | — | EP | disclosed |
| EP-0323152-B1 | Method of synthesizing oligonucleotides | APPLIED BIOSYSTEMS (US) | 1995-02-15 | — | — | EP | disclosed |
| EP-0617047-A1 | Dye-labelled phosphoramadites | THE PERKIN-ELMER CORPORATION (US) | 1994-09-28 | — | — | EP | disclosed |
| US-5231191-A | Rhodamine phosphoramidite compounds | APPLIED BIOSYSTEMS, INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-4965349-A | HYDROLYSIS OF LINKING GROUP WITH MIXTURE OF ALCOHOL, WATER, AND HINDERED AMINE | APPLIED BIOSYSTEMS, INC. (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0323152-A2 | Method of synthesizing oligonucleotides | APPLIED BIOSYSTEMS, INC. (US) | 1989-07-05 | — | — | EP | disclosed |
| US-4702864-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-10-27 | — | — | US | disclosed |