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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13700429 | 0.93 | NPC1 (0.42) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| Diethylamine SCHEMBL7566058 | 0.88 | KDM4E (0.45) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL13700406 | 0.82 | MAPT (0.39) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL13700402 | 0.81 | NPC1 (0.43) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| Diethylamine SCHEMBL7563696 | 0.81 | NPC1 (0.42) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL12919747 | 0.80 | FFAR1 (0.41) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| Diethylamine SCHEMBL7570232 | 0.80 | NPC1 (0.41) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL74479 | 0.80 | NPC1 (0.50) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL30240966 | 0.80 | NPC1 (0.50) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL13700471 | 0.80 | ERN1 (0.36) | NPC1RAB9AMAPTKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0855393-B1 | BISBENZOTRIAZOLYLPHENOLS | OTSUKA KAGAKU KK (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-5922882-A | ULTRAVIOLET RADIATION ABSORBER; COPOLYMERIZATION COMPONENT OF BISBENZOTRIAZOLE COMPRISING A COPOLYCARBONATE, A COPOLYESTER, A COPOLYURETHANE AND A COPOLYURETHANEURA | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1999-07-13 | — | — | US | disclosed |
| EP-0855393-A1 | BISBENZOTRIAZOLYLPHENOLS | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1998-07-29 | — | — | EP | disclosed |