Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of N,N-Diallyl-2-Chloroacetamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBTSHRMEN1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBTSHRMEN1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL8953543 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2POLBMEN1NPC1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL20819425 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2POLBMEN1NPC1 | |
| SCHEMBL10926107 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2POLBMEN1NPC1 | |
| SCHEMBL2343049 | 0.79 | ALDH1A1 (0.60) | ALDH1A1GLRA1SLC6A9OR51E2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2339831 | 0.77 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2POLBMEN1RAB9A | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL9011296 | 0.77 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2POLBTSHRMEN1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL11811703 | 0.77 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2POLB | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL11811713 | 0.76 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0584204-A1 | MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1994-03-02 | — | — | EP | claimed |
| WO-1992020747-A1 | MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1992-11-26 | — | — | WO | claimed |
| EP-0449975-A1 | NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS. | BATTELLE MEMORIAL INSTITUTE (US) | 1991-10-09 | — | — | EP | claimed |