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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | SAT1 | P21673 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 4/20 | 0.38 |
| ▸ | LAP3 | P28838 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL28794398 | 1.00 | TP53 (0.50) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL29187214 | 0.87 | TP53 (0.57) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL320756 | 0.87 | TP53 (0.57) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL9484949 | 0.87 | TP53 (0.57) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL1203507 | 0.87 | TP53 (0.57) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL27846997 | 0.87 | TP53 (0.57) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL29262325 | 0.84 | TP53 (0.53) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL28374809 | 0.84 | CA2 (0.53) | TP53MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL11661532 | 0.82 | TP53 (0.44) | TP53MMP1MMP2MMP3MMP9 | |
| Phosphoramidic Acid SCHEMBL7925967 | 0.82 | ANPEP (0.47) | TP53SAT1ANPEPCA2GABBR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102388150-A | Methods for the detection and identification of extended spectrum beta lactamases | GENEOHM SCIENCES INC | 2012-03-21 | — | — | CN | disclosed |