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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10641101 | 0.97 | ALOX5 (0.53) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10643744 | 0.96 | ALOX5 (0.53) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL10358389 | 0.92 | ALOX5 (0.51) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11034333 | 0.89 | ALOX5 (0.51) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10358337 | 0.88 | ALOX5 (0.51) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10640776 | 0.87 | MAPT (0.53) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10358745 | 0.84 | ALDH1A1 (0.47) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10644925 | 0.84 | ALOX5 (0.51) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10643877 | 0.82 | ALDH1A1 (0.54) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 | |
| Zinc Ion SCHEMBL11034329 | 0.81 | ALOX5 (0.49) | ALOX5SMN1; SMN2NPC1RAB9AALDH1A1 |
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-0161222-B1 | HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS | CIBA-GEIGY AG (CH) | 1990-10-10 | — | — | EP | disclosed |
| EP-0161222-A2 | Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |