Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | S100A4 | P26447 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
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 SCHEMBL29256909 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Acetonitrile SCHEMBL17474635 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Acetonitrile SCHEMBL9780143 | 0.98 | ALDH1A1 (0.50) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Acetonitrile SCHEMBL28546118 | 0.98 | ALDH1A1 (0.50) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Trimethylammonium SCHEMBL4596013 | 0.94 | GLA (0.47) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Trimethylammonium SCHEMBL8167299 | 0.92 | GLA (0.46) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Water SCHEMBL214962 | 0.91 | GAA (0.59) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Water SCHEMBL4069335 | 0.91 | GAA (0.59) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Water SCHEMBL31139173 | 0.91 | GAA (0.59) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| Water SCHEMBL1160667 | 0.91 | GAA (0.59) | ALDH1A1TSHRNT5EMAPTTDP1 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116440819-B | Preparation method of carrier microsphere for solid phase synthesis of nucleic acid | 苏州华诺生物科技有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-116440819-A | Preparation method of carrier microsphere for solid phase synthesis of nucleic acid | 苏州华诺生物科技有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-106317060-B | A kind of preparation method of hydrochloric acid conivaptan | 山东罗欣药业集团恒欣药业有限公司 | 2019-02-15 | — | — | CN | claimed |
| CN-118726541-B | Oligonucleotide fluorescent probe and method for detecting environmental DNA by using same | 青岛聚点儿科技有限公司 | 2025-03-14 | — | — | CN | disclosed |
| CN-118685494-B | Nucleic acid probe and method for detecting DNA using the same | 青岛聚点儿科技有限公司 | 2025-01-14 | — | — | CN | disclosed |
| CN-118726541-A | Oligonucleotide fluorescent probe and method for detecting environmental DNA by using same | 青岛聚点儿科技有限公司 | 2024-10-01 | — | — | CN | disclosed |
| CN-118685494-A | Nucleic acid probe and method for detecting DNA using the same | 青岛聚点儿科技有限公司 | 2024-09-24 | — | — | CN | disclosed |
| WO-2024148184-A1 | COMPOUNDS AND PROCESSES FOR THE PREPARATION OF JAK INHIBITORS | AERIE PHARMACEUTICALS, INC. (US) | 2024-07-11 | — | — | WO | disclosed |
| US-20230312859-A1 | POROUS RESIN USED TO SOLID PHASE SYNTHESSIS AND PREPARATION METHOD THEREFOR | SUNRESIN NEW MATERIALS CO. LTD. (CN) | 2023-10-05 | — | — | US | disclosed |
| CN-116440819-B | Preparation method of carrier microsphere for solid phase synthesis of nucleic acid | 苏州华诺生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-116440819-A | Preparation method of carrier microsphere for solid phase synthesis of nucleic acid | 苏州华诺生物科技有限公司 | 2023-07-18 | — | — | CN | disclosed |
| EP-1036070-A1 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | The Clorox Company (US) | 2000-09-20 | — | — | EP | disclosed |
| EP-0944609-A4 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | CLOROX CO (US) | 2000-03-08 | — | — | EP | disclosed |
| US-6013434-A | Oligonucleotide-polyamide conjugates | HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) | 2000-01-11 | — | — | US | disclosed |
| EP-0944609-A1 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | The Clorox Company (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023601-A1 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| WO-1998023602-A1 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| EP-0644890-A4 | OLIGONUCLEOTIDE-POLYAMIDE CONJUGATES. | FLOREY HOWARD INST (AU) | 1996-03-27 | — | — | EP | disclosed |
| EP-0644890-A1 | OLIGONUCLEOTIDE-POLYAMIDE CONJUGATES | HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) | 1995-03-29 | — | — | EP | disclosed |
| WO-1993024511-A1 | OLIGONUCLEOTIDE-POLYAMIDE CONJUGATES | HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) | 1993-12-09 | — | — | WO | disclosed |