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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | LDLR | P01130 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL10428277 | 0.89 | GABRA1 (0.40) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| Diethylamine SCHEMBL10428382 | 0.83 | ALOX5 (0.44) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL3825748 | 0.77 | KDM4E (0.44) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10428373 | 0.76 | PTGS2 (0.43) | ALDH1A1LMNAGABRA1GABRB1KMO | |
| Hydrochloric Acid SCHEMBL10428276 | 0.74 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| Dimethylamine SCHEMBL10428304 | 0.74 | ALOX5 (0.48) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C19 | |
| Diethylamine SCHEMBL10428394 | 0.73 | PTGS2 (0.44) | ALDH1A1LMNASMN1; SMN2GABRA1GABRB1 | |
| SCHEMBL10428351 | 0.72 | HSP90AA1 (0.49) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL9618894 | 0.72 | GABRA1 (0.59) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| Benzophenone SCHEMBL5804441 | 0.71 | ALDH1A1 (0.64) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4927835-A | ANTIPYRETICS | NIPPON SHINYAKU CO., LTD. (JP) | 1990-05-22 | — | — | US | disclosed |
| EP-0331195-A2 | Acylphenol derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1989-09-06 | — | — | EP | disclosed |