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 | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6929891 | 0.83 | ALDH1A1 (0.60) | IRAK4KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL3604861 | 0.79 | IRAK4 (0.80) | IRAK4KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL6929889 | 0.78 | ADORA3 (0.47) | IRAK4KDM4ETSHRSMN1; SMN2MEN1 | |
| Dimethylamine SCHEMBL6932652 | 0.76 | KDM4E (0.79) | IRAK4KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL18526899 | 0.73 | LMNA (0.53) | SMN1; SMN2MEN1HTTKMT2ARAB9A | |
| Diethylamine SCHEMBL6934466 | 0.73 | HTT (0.50) | SMN1; SMN2HTTNPSR1TDP1TP53 | |
| SCHEMBL21105717 | 0.69 | IRAK4 (1.00) | IRAK4KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16882402 | 0.69 | TDP1 (0.77) | KDM4ESMN1; SMN2KMT2ANPSR1TDP1 | |
| SCHEMBL20204947 | 0.69 | MTNR1A (0.55) | HTTRAB9ATDP1NPC1MAPT | |
| SCHEMBL11715439 | 0.68 | OPRK1 (0.56) | IRAK4KDM4ETSHRRAB9ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6660870-B1 | Serotonergic compounds which possess agonist activity at 5-HT2 receptors effectively lower and control normal and elevated IOP and are useful for treating glaucoma | ALCON, INC. (CH) | 2003-12-09 | — | — | US | disclosed |