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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30453493 | 0.90 | MEN1 (0.44) | MEN1KMT2AMAPTTP53NPC1 | |
| Diethylamine SCHEMBL9699235 | 0.78 | MEN1 (0.40) | MEN1KMT2AMAPTTP53NPC1 | |
| SCHEMBL9701358 | 0.73 | HTR6 (0.41) | MEN1KMT2AMAPTTP53THRB | |
| Diethylamine SCHEMBL9699242 | 0.71 | SMN1; SMN2 (0.45) | MEN1KMT2AMAPTTP53NPC1 | |
| SCHEMBL9700296 | 0.71 | HTR2A (0.40) | MEN1KMT2AMAPTTP53GAA | |
| SCHEMBL9701639 | 0.71 | HTR1A (0.37) | MAPTTP53THRB | |
| SCHEMBL11442929 | 0.71 | P2RX4 (0.36) | MEN1KMT2AMAPTTP53GAA | |
| SCHEMBL9153909 | 0.71 | THRB (0.39) | MEN1KMT2AMAPTTP53THRB | |
| SCHEMBL9154311 | 0.70 | HTT (0.43) | MEN1KMT2AMAPTTP53NPC1 | |
| SCHEMBL9153937 | 0.69 | HTT (0.38) | MEN1KMT2AMAPTTP53NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |