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 | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8773557 | 0.89 | LMNA (0.60) | BCHEMAOBLMNACYP1A2PTGS1 | |
| SCHEMBL12909374 | 0.78 | BCHE (0.80) | BCHE | |
| SCHEMBL8773569 | 0.76 | MAOB (0.54) | MAOBRAB9ASMN1; SMN2MAPTMAOA | |
| SCHEMBL13886610 | 0.75 | BCHE (0.74) | BCHE | |
| SCHEMBL339813 | 0.74 | LMNA (0.82) | BCHEMAOBLMNACYP1A2PTGS1 | |
| SCHEMBL27367676 | 0.74 | LMNA (0.82) | BCHEMAOBLMNACYP1A2PTGS1 | |
| Hydrochloric Acid SCHEMBL4453704 | 0.74 | BCHE (0.72) | BCHE | |
| SCHEMBL227697 | 0.73 | MAOB (0.67) | BCHEMAOBLMNACYP1A2PTGS1 | |
| SCHEMBL11293541 | 0.73 | LMNA (0.67) | BCHEMAOBLMNACYP1A2PTGS1 | |
| SCHEMBL6376293 | 0.72 | AR (0.62) | BCHEMAOBLMNACYP1A2PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660491-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005012296-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-10 | — | — | WO | disclosed |