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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13753359 | 0.95 | HPGD (0.51) | HPGDPOLBALDH1A1MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL10658942 | 0.80 | ALDH1A1 (0.53) | HPGDPOLBALDH1A1MAPTNPSR1 | |
| SCHEMBL4803445 | 0.78 | HPGD (0.46) | HPGDPOLBALDH1A1MAPTNPSR1 | |
| SCHEMBL27621717 | 0.77 | KMT2A (0.46) | HPGDPOLBALDH1A1MAPTMEN1 | |
| SCHEMBL13754008 | 0.77 | HPGD (0.62) | HPGDPOLBALDH1A1MAPTPKM | |
| Hydrochloric Acid SCHEMBL10658938 | 0.75 | TAS1R3 (0.43) | HPGDPOLBALDH1A1MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL10824597 | 0.75 | TSHR (0.55) | HPGDALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8887009 | 0.74 | KMT2A (0.44) | ALDH1A1MEN1KMT2AMAPK1NPC1 | |
| SCHEMBL28763778 | 0.74 | HPGD (0.53) | HPGDALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL4158170 | 0.74 | TAS1R3 (0.64) | HPGDALDH1A1TAS1R3TAS1R1TAS1R2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-63211255-A | — | — | None | — | — | JP | disclosed |
| JP-S63211255-A | BENZAMIDE DERIVATIVE | TEIKOKU CHEM IND CORP LTD | 1988-09-02 | — | — | JP | disclosed |