Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22112 | 0.86 | — | — | |
| SCHEMBL22111 | 0.86 | — | — | |
| SCHEMBL1760692 | 0.86 | — | — | |
| Dimethylamine SCHEMBL27609713 | 0.83 | — | — | |
| SCHEMBL23650043 | 0.83 | — | — | |
| Butadiene SCHEMBL4181277 | 0.83 | TRPA1 (0.45) | TRPA1 | |
| Butadiene SCHEMBL4181280 | 0.83 | TRPA1 (0.45) | TRPA1 | |
| Methane SCHEMBL19112338 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL11663243 | 0.83 | — | — | |
| SCHEMBL23650044 | 0.83 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110275756-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-11-10 | — | — | US | disclosed |