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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4551139 | 0.89 | ESR1 (0.50) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4264174 | 0.89 | ESR1 (0.50) | MAPTESR1GAARAB9AMITF | |
| Diphenylamine SCHEMBL4414722 | 0.85 | ESR1 (0.44) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4552432 | 0.82 | MAPT (0.43) | MAPTESR1GAARAB9AMITF | |
| Methylpiperazine SCHEMBL4551702 | 0.81 | MAPT (0.44) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4263583 | 0.79 | L3MBTL1 (0.50) | MAPTESR1GAAL3MBTL1TDP1 | |
| SCHEMBL4429251 | 0.77 | EGFR (0.49) | MAPTESR1KMT2AHPGDHDAC3 | |
| SCHEMBL4277728 | 0.77 | MEN1 (0.45) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4410001 | 0.77 | MMP1 (0.53) | MAPTESR1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4265182 | 0.76 | MAPT (0.46) | MAPTESR1GAAL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |