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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4157715 | 0.88 | LMNA (0.42) | TP53LMNACYP3A4ALOX15MMP1 | |
| Hexane SCHEMBL28483859 | 0.79 | CA12 (0.43) | TP53LMNACYP3A4ALOX15ALDH1A1 | |
| Diethylamine SCHEMBL8574773 | 0.74 | — | — | |
| Diethylamine SCHEMBL10651999 | 0.73 | TP53 (0.42) | TP53LMNACYP3A4ALOX15MMP1 | |
| Diethylamine SCHEMBL9699835 | 0.72 | — | — | |
| Diethylamine SCHEMBL11737060 | 0.72 | ALOX15 (0.53) | TP53LMNACYP3A4ALOX15MMP1 | |
| Diethylamine SCHEMBL8672658 | 0.71 | ABCB11 (0.40) | TP53LMNACYP3A4ALOX15MMP1 | |
| Diethylamine SCHEMBL2329617 | 0.71 | TP53 (0.40) | TP53LMNACYP3A4ALOX15MMP1 | |
| SCHEMBL27848364 | 0.71 | CA12 (0.55) | LMNACYP3A4MMP1MMP2MMP3 | |
| SCHEMBL15821650 | 0.70 | LMNA (0.36) | LMNAMMP1MMP2MMP3MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1468032-B1 | ALKYLAMINO OXAMIDES AS LOW ODOR NON FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES | MOMENTIVE PERFORMANCE MAT INC (US) | 2009-10-21 | — | — | EP | claimed |