Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 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 SCHEMBL9780144 | 1.00 | GAA (0.50) | GAATDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL30252453 | 0.89 | GAA (0.62) | GAATDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL3180420 | 0.89 | GAA (0.62) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Acetonitrile SCHEMBL28577871 | 0.88 | GLA (0.46) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL31149859 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL863625 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL11621675 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL22581605 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL12983806 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT | |
| Water SCHEMBL15961382 | 0.86 | GAA (0.59) | GAATDP1ALDH1A1CYP3A4MAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117884093-A | Monoatomic palladium modified hierarchical porous molecular sieve adsorbent and preparation method and application thereof | 武汉工程大学 | 2024-04-16 | — | — | CN | claimed |
| CN-115582144-B | Hierarchical pore covalent organic framework-metal composite structure catalyst and preparation method and application thereof | 浙江工业大学 | 2024-01-16 | — | — | CN | claimed |
| CN-115582144-A | Hierarchical pore covalent organic framework-metal composite structure catalyst and preparation method and application thereof | 浙江工业大学 | 2023-01-10 | — | — | CN | claimed |
| CN-119916644-A | Photosensitive resin composition containing alkynyl anthracene photosensitizer and application thereof | 湖南初源新材料股份有限公司 | 2025-05-02 | — | — | CN | disclosed |
| US-20240270677-A1 | Process for Preparing Substituted Biphenyls via Suzuki Coupling of Aryl-Chlorides | BASF SE (DE) | 2024-08-15 | — | — | US | disclosed |
| CN-117884093-A | Monoatomic palladium modified hierarchical porous molecular sieve adsorbent and preparation method and application thereof | 武汉工程大学 | 2024-04-16 | — | — | CN | disclosed |
| EP-4341239-A1 | PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS VIA SUZUKI COUPLING OF ARYL-CHLORIDES | BASF SE (DE) | 2024-03-27 | — | — | EP | disclosed |
| CN-115582144-B | Hierarchical pore covalent organic framework-metal composite structure catalyst and preparation method and application thereof | 浙江工业大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-117321029-A | Method for preparing substituted biphenyls via Suzuki coupling of aryl chlorides | 巴斯夫欧洲公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-115582144-A | Hierarchical pore covalent organic framework-metal composite structure catalyst and preparation method and application thereof | 浙江工业大学 | 2023-01-10 | — | — | CN | disclosed |
| WO-2022243099-A1 | PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS VIA SUZUKI COUPLING OF ARYL-CHLORIDES | BASF SE (DE) | 2022-11-24 | — | — | WO | disclosed |
| CN-110183366-B | Method for synthesizing thioester compound through alkene carbonylation thioesterification | 中国科学院成都生物研究所 | 2021-02-26 | — | — | CN | 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-20240270677-A1 | Process for Preparing Substituted Biphenyls via Suzuki Coupling of Aryl-Chlorides | CYP2B6, DDT, CYP1B1 | GAA 1479/4885TDP1 3771/4885ALDH1A1 517/4885 |
“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.