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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2744386 | 0.92 | KDM1A (0.40) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| SCHEMBL4721218 | 0.79 | HTT (0.49) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| SCHEMBL658288 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28159570 | 0.76 | HTT (0.42) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| SCHEMBL28245251 | 0.76 | GNAI3 (0.59) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| Hydrazine SCHEMBL8557171 | 0.76 | HTT (0.46) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| SCHEMBL8778709 | 0.75 | GNAI3 (0.45) | GNAI3GNAO1GNAI1LMNA | |
| SCHEMBL20000752 | 0.75 | — | — | |
| Bromide SCHEMBL28507361 | 0.74 | GNAI3 (0.58) | KDM1AHTTGNAI3GNAO1GNAI1 | |
| SCHEMBL27876615 | 0.74 | GNAI3 (0.58) | KDM1AHTTGNAI3GNAO1GNAI1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102712592-A | Novel cationic aminopyridines, dye composition comprising a cationic aminopyridine, processes therefor and uses thereof | OREAL | 2012-10-03 | — | — | CN | claimed |
| CN-102712592-A | Novel cationic aminopyridines, dye composition comprising a cationic aminopyridine, processes therefor and uses thereof | OREAL | 2012-10-03 | — | — | CN | disclosed |