Known targets — ChEMBL curated mechanism
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL3634165 | 0.91 | CA12 (0.44) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL2374802 | 0.89 | CA12 (0.43) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL7120564 | 0.89 | CA12 (0.43) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL27834913 | 0.85 | CA12 (0.40) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL14740092 | 0.84 | CA12 (0.39) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Acetonitrile SCHEMBL4389482 | 0.83 | TSHR (0.37) | CA12CA7CA14TSHRSMN1; SMN2 | |
| Acetamide SCHEMBL6559564 | 0.82 | SMN1; SMN2 (0.38) | CA12CA7CA14TSHRSMN1; SMN2 | |
| N-Methylpiperidine SCHEMBL8662116 | 0.81 | — | — | |
| Acetonitrile SCHEMBL304666 | 0.80 | CA12 (0.36) | CA12CA7CA14TSHRSMN1; SMN2 | |
| SCHEMBL28051043 | 0.79 | CA12 (0.44) | CA12CA7CA14TSHRSMN1; SMN2 |
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 715 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261686-B1 | MULTIPHASE MOULDED DETERGENT BODIES WITH NON-PRESSED PARTS | HENKEL AG & CO KGAA (DE) | 2016-06-15 | — | — | EP | claimed |
| EP-1157090-B2 | METHOD OF PREPARING MULTI-PHASE MOULDED DETERGENT AND/OR CLEANING AGENT ARTICLES | HENKEL AG & CO KGAA (DE) | 2014-08-27 | — | — | EP | claimed |
| EP-1299517-B2 | DISHWASHER AGENT WITH ADDITIONAL USES | HENKEL AG & CO KGAA (DE) | 2010-05-19 | — | — | EP | claimed |
| EP-1678287-B1 | DISPENSER CONTAINING LIQUID BLEACHING COMPOSITION | RECKITT BENCKISER UK LTD (GB) | 2007-08-29 | — | — | EP | claimed |
| EP-1678287-A1 | LIQUID BLEACHING COMPOSITION | Reckitt Benckiser (UK) LIMITED (GB) | 2006-07-12 | — | — | EP | claimed |
| EP-1103599-B1 | Particle form rinse aid and dishwasher detergent composition | HENKEL KGAA (DE) | 2006-03-08 | — | — | EP | claimed |
| EP-1157090-B1 | METHOD OF PREPARING MULTI-PHASE MOULDED DETERGENT AND/OR CLEANING AGENT ARTICLES | HENKEL KGAA (DE) | 2005-09-21 | — | — | EP | claimed |
| EP-1299517-B1 | DISHWASHER AGENT WITH ADDITIONAL USES | HENKEL KGAA (DE) | 2005-08-31 | — | — | EP | claimed |
| WO-2005042686-A1 | LIQUID BLEACHING COMPOSITION | RECKITT BENCKISER (UK) LIMITED (GB) | 2005-05-12 | — | — | WO | claimed |
| EP-1141191-B1 | PHOSPHATE COMPOUNDS | HENKEL KGAA (DE) | 2005-03-09 | — | — | EP | claimed |
| CN-1345305-A | Method of preparing granular N-alkyl-ammonium acetonitrile salts | BASF AG (DE) | 2002-04-17 | — | — | CN | claimed |
| US-20020006890-A1 | Multiphase laundry detergent and cleaning product shaped bodies having noncompressed parts | HENKEL AG & CO. KGAA (DE) | 2002-01-17 | — | — | US | claimed |
| WO-2002004588-A1 | DISHWASHER AGENT WITH ADDITIONAL USES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-01-17 | — | — | WO | claimed |
| EP-1165497-A1 | METHOD OF PREPARING GRANULAR N-ALKYL-AMMONIUM ACETONITRILE SALTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | claimed |
| EP-0941299-B1 | TEXTILE DETERGENT FORMULATION ON THE BASIS OF QUATERNIZED GLYCINE NITRILES, BLEACHING AGENTS, NONIONIC AND/OR ANIONIC TENSIDES AND CALCIUM ION AND/OR MAGNESIUM ION SEQUESTERING COMPOUNDS | BASF AG (DE) | 2001-08-29 | — | — | EP | claimed |
| EP-1103599-A1 | Particle form rinse aid and dishwasher detergent composition | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-05-30 | — | — | EP | claimed |
| WO-2000058273-A1 | METHOD OF PREPARING GRANULAR N-ALKYL-AMMONIUM ACETONITRILE SALTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-05 | — | — | WO | claimed |
| EP-0941299-A2 | TEXTILE DETERGENT FORMULATION ON THE BASIS OF QUATERNIZED GLYCINE NITRILES, BLEACHING AGENTS, NONIONIC AND/OR ANIONIC TENSIDES AND CALCIUM ION AND/OR MAGNESIUM ION SEQUESTERING COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-15 | — | — | EP | claimed |
| WO-1998023718-A2 | TEXTILE DETERGENT FORMULATION ON THE BASIS OF QUATERNIZED GLYCINE NITRILES, BLEACHING AGENTS, NONIONIC AND/OR ANIONIC TENSIDES AND CALCIUM ION AND/OR MAGNESIUM ION SEQUESTERING COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | claimed |
| US-5739327-A | OXYGEN BLEACHES OF NITRILE BONDED TO QUATERNARY NITROGEN | THE CLOROX COMPANY (US) | 1998-04-14 | — | — | US | claimed |