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 | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL583601 | 0.91 | — | — | |
| Dimethylamine SCHEMBL9702906 | 0.86 | MMP1 (0.43) | MCL1MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL9701329 | 0.83 | TP53 (0.42) | MCL1MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL9701592 | 0.81 | TP53 (0.40) | MCL1MMP1MMP2MMP3MMP9 | |
| Diethylamine SCHEMBL721666 | 0.78 | PAOX (0.39) | MCL1MMP1MMP2MMP3MMP9 | |
| SCHEMBL6858080 | 0.77 | MMP1 (0.52) | MCL1MMP1MMP2MMP3MMP9 | |
| SCHEMBL584355 | 0.76 | EPHX1 (0.54) | MMP2EPHX1PLA2G2AALOX15PLA2G4A | |
| SCHEMBL6940482 | 0.75 | MMP1 (0.46) | MCL1MMP1MMP2MMP3MMP9 | |
| SCHEMBL261066 | 0.75 | — | — | |
| SCHEMBL7876750 | 0.74 | EPHX1 (0.60) | EPHX1PLA2G2ASMN1; SMN2ALOX15PLA2G4A |
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 |
|---|---|---|---|---|---|---|---|
| US-5132454-A | Antihypoxic agents | MEIJI SEIKA KAISHA, LTD. (JP) | 1992-07-21 | — | — | US | disclosed |
| US-5066677-A | Antihypoxic agents, treatment of disorders resulting from reduced oxygen supply to brain | MEIJI SEIKA KAISHA, LTD. (JP) | 1991-11-19 | — | — | US | disclosed |
| EP-0387074-A2 | Novel oxamic acid compounds and pharmaceutical composition for use in improvement of damaged cerebral functions of brain | MEIJI SEIKA KAISHA LTD. (JP) | 1990-09-12 | — | — | EP | disclosed |