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 | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 11/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2642036 | 0.84 | GABRA1 (0.46) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL19915930 | 0.81 | FGFR1 (0.62) | KDRFGFR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2641992 | 0.81 | FGFR1 (0.54) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1762266 | 0.81 | GABRA1 (0.55) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2641981 | 0.80 | FGFR1 (0.56) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1762112 | 0.79 | GABRA1 (0.53) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1761900 | 0.79 | GABRA1 (0.58) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2646769 | 0.78 | HTT (0.59) | KDRFGFR1ALDH1A1HPGD | |
| SCHEMBL2641968 | 0.77 | NPC1 (0.62) | KDRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2642002 | 0.77 | HPGD (0.46) | KDRGABRA1GABRG2GABRB3GABRA5 |
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-0563001-B1 | Imidazole compounds, their preparation and use | NEUROSEARCH AS (DK) | 1996-02-28 | — | — | EP | disclosed |
| US-5360809-A | Imidazole compounds and their use as calcium channel blockers | NEUROSEARCH A/S (DK) | 1994-11-01 | — | — | US | disclosed |
| EP-0563001-A1 | Imidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1993-09-29 | — | — | EP | disclosed |