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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.84 |
| ▸ | HTT | P42858 | 1/20 | 0.84 |
| ▸ | POLB | P06746 | 3/20 | 0.64 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.60 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | TNF | P01375 | 2/20 | 0.51 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.51 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.51 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1992429 | 0.92 | CYP1A2 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| Dimethylamine SCHEMBL6930952 | 0.90 | CYP1A2 (0.90) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| Dimethylamine SCHEMBL6934118 | 0.89 | CYP1A2 (0.87) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL1520381 | 0.78 | POLB (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL6199065 | 0.77 | CXCR4 (0.85) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| Diethylamine SCHEMBL6934466 | 0.77 | HTT (0.50) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL6694492 | 0.75 | HTT (0.70) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL2343059 | 0.75 | TLR8 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL5461912 | 0.74 | POLB (0.69) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL1170110 | 0.74 | TLR8 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571253-B1 | Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity | ADIR (FR) | 1998-11-04 | — | — | EP | disclosed |
| US-5639756-A | ANTIDIABETIC AGENTS | ADIR ET COMPAGNIE (FR) | 1997-06-17 | — | — | US | disclosed |
| US-5623073-A | ANTIDIABETIC AGENT | ADIR ET COMPAGNIE (FR) | 1997-04-22 | — | — | US | disclosed |
| EP-0571253-A1 | Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity | ADIR ET COMPAGNIE (FR) | 1993-11-24 | — | — | EP | disclosed |