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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.62 |
| ▸ | CDK1 | P06493 | 14/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6033235 | 0.81 | KDR (0.72) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6034237 | 0.79 | KDR (0.76) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6033968 | 0.78 | KDR (0.71) | KDRCDK1AURKAALDH1A1ALOX15 | |
| SCHEMBL6034268 | 0.78 | KDR (0.74) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6033918 | 0.78 | KDR (1.00) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL31061561 | 0.77 | KDR (1.00) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6033880 | 0.77 | KDR (0.82) | KDRCDK1AURKAALDH1A1ALOX15 | |
| SCHEMBL24478147 | 0.76 | KDR (0.74) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6034110 | 0.75 | KDR (0.55) | KDRCDK1ALDH1A1ALOX15RAB9A | |
| SCHEMBL6033765 | 0.75 | KDR (0.76) | KDRCDK1ALDH1A1ALOX15RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187816-B1 | 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES | CELLTECH R&D LTD (GB) | 2006-12-20 | — | — | EP | claimed |