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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL5874292 | 0.96 | TP53 (0.61) | TP53FFAR3MCL1CA1CA2 | |
| Diethylamine SCHEMBL4340639 | 0.96 | — | — | |
| Diethylamine SCHEMBL548048 | 0.90 | TP53 (0.53) | TP53FFAR3MCL1CA2LDHA | |
| Diethylamine SCHEMBL28026702 | 0.90 | TP53 (0.53) | TP53FFAR3MCL1CA2LDHA | |
| Diethylamine SCHEMBL11600706 | 0.90 | TP53 (0.53) | TP53FFAR3MCL1CA2LDHA | |
| Diethylamine SCHEMBL28645502 | 0.90 | TP53 (0.53) | TP53FFAR3MCL1CA2LDHA | |
| Diethylamine SCHEMBL28645503 | 0.90 | TP53 (0.53) | TP53FFAR3MCL1CA2LDHA | |
| Diethylamine SCHEMBL28293302 | 0.86 | MCL1 (0.44) | TP53FFAR3MCL1 | |
| Oxalic Acid SCHEMBL5875439 | 0.86 | TP53 (0.57) | TP53FFAR3MCL1LDHASRR | |
| Diethylamine SCHEMBL21834232 | 0.86 | TP53 (0.57) | TP53FFAR3MCL1CA2LDHA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109668976-A | A method of with the related substance of high effective liquid chromatography for measuring dapoxetine hydrochloride | 华控创新（北京）药物研究院有限公司 | 2019-04-23 | — | — | CN | claimed |
| CN-109668976-A | A method of with the related substance of high effective liquid chromatography for measuring dapoxetine hydrochloride | 华控创新（北京）药物研究院有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-109668976-A | A method of with the related substance of high effective liquid chromatography for measuring dapoxetine hydrochloride | 华控创新（北京）药物研究院有限公司 | 2019-04-23 | — | — | CN | disclosed |