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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.79 |
| ▸ | ATM | Q13315 | 1/20 | 0.79 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.57 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL28826041 | 0.89 | TAAR1 (0.91) | TAAR1ATML3MBTL1MEN1KMT2A | |
| SCHEMBL19355275 | 0.89 | TAAR1 (1.00) | TAAR1ATML3MBTL1MEN1KMT2A | |
| SCHEMBL1878 | 0.89 | TAAR1 (1.00) | TAAR1ATML3MBTL1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1696934 | 0.87 | TAAR1 (0.95) | TAAR1ATML3MBTL1MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL19693169 | 0.87 | TAAR1 (0.95) | TAAR1ATML3MBTL1MEN1KMT2A | |
| SCHEMBL7236339 | 0.87 | TAAR1 (0.95) | TAAR1ATML3MBTL1MEN1KMT2A | |
| SCHEMBL27896457 | 0.87 | TAAR1 (0.95) | TAAR1ATML3MBTL1MEN1KMT2A | |
| SCHEMBL1406143 | 0.85 | SIGMAR1 (0.64) | TAAR1ATML3MBTL1SIGMAR1GAA | |
| SCHEMBL17922520 | 0.83 | TAAR1 (0.59) | TAAR1ATML3MBTL1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3739565 | 0.83 | GAA (0.65) | TAAR1ATML3MBTL1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218384-A4 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-1218384-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023392-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |