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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL22534413 | 0.84 | FFAR3 (0.50) | CES2CES1NAAAHDAC8HDAC6 | |
| Alcohol SCHEMBL27732747 | 0.82 | CES2 (0.46) | CES2CES1NAAAHDAC8HDAC6 | |
| Dimethylamine SCHEMBL11472671 | 0.81 | CES2 (0.50) | CES2CES1HDAC8HDAC6EPHX1 | |
| Cyclohexane SCHEMBL28236664 | 0.81 | CES2 (0.55) | CES2CES1HDAC8HDAC6HSD11B1 | |
| SCHEMBL25212375 | 0.81 | CES2 (0.61) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL10188550 | 0.81 | CES2 (0.61) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL1260777 | 0.81 | CES2 (0.61) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL6501 | 0.81 | — | — | |
| SCHEMBL12492077 | 0.81 | CES2 (0.61) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL5493736 | 0.81 | CES2 (0.61) | CES2CES1HDAC8HDAC6EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112521368-B | Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists | 百时美施贵宝公司 | 2023-12-05 | — | — | CN | disclosed |