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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 SCHEMBL743633 | 0.93 | — | — | |
| Diethylamine SCHEMBL20400239 | 0.90 | TP53 (0.57) | TP53TSHRALDH1A1KDM4ELMNA | |
| Hexane SCHEMBL2397294 | 0.89 | TSHR (0.43) | TP53TSHRALDH1A1KDM4ELMNA | |
| Pentane SCHEMBL28094240 | 0.89 | TSHR (0.43) | TP53TSHRALDH1A1KDM4ELMNA | |
| Diethylamine SCHEMBL538119 | 0.86 | — | — | |
| Propylene Glycol SCHEMBL7551796 | 0.84 | TDP1 (0.62) | TP53TSHRALDH1A1KDM4ELMNA | |
| Diethylamine SCHEMBL9744225 | 0.83 | TP53 (0.57) | TP53TSHRALDH1A1KDM4ELMNA | |
| Diethylamine SCHEMBL2240691 | 0.82 | TP53 (0.67) | TP53TSHRALDH1A1KDM4ECYP2C19 | |
| Diethylamine SCHEMBL11564718 | 0.82 | TP53 (0.67) | TP53TSHRALDH1A1KDM4ECYP2C19 | |
| Diethylamine SCHEMBL11582370 | 0.82 | TP53 (0.67) | TP53TSHRALDH1A1KDM4ECYP2C19 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107167530-B | Analysis method for determining stereoisomer and intermediate in solifenacin succinate | 山东省药学科学院 | 2020-02-28 | — | — | CN | claimed |
| CN-107167530-A | A kind of analysis method for determining butanedioic acid Solifenacin neutral body isomers and intermediate | 山东省药学科学院 | 2017-09-15 | — | — | CN | claimed |
| CN-107167530-B | Analysis method for determining stereoisomer and intermediate in solifenacin succinate | 山东省药学科学院 | 2020-02-28 | — | — | CN | disclosed |
| CN-107167530-B | Analysis method for determining stereoisomer and intermediate in solifenacin succinate | 山东省药学科学院 | 2020-02-28 | — | — | CN | disclosed |
| CN-106008556-B | Yi Dushaban and its isomers separation method | 科贝源(北京)生物医药科技有限公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-107167530-A | A kind of analysis method for determining butanedioic acid Solifenacin neutral body isomers and intermediate | 山东省药学科学院 | 2017-09-15 | — | — | CN | disclosed |
| CN-107167530-A | A kind of analysis method for determining butanedioic acid Solifenacin neutral body isomers and intermediate | 山东省药学科学院 | 2017-09-15 | — | — | CN | disclosed |
| EP-1104414-B1 | ENANTIOSELECTIVE SYNTHESIS | SCHERING CORP (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-1104414-A1 | ENANTIOSELECTIVE SYNTHESIS | SCHERING CORPORATION (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009493-A1 | ENANTIOSELECTIVE SYNTHESIS | SCHERING CORPORATION (US) | 2000-02-24 | — | — | WO | disclosed |