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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Nitrilotriacetic Acid SCHEMBL4152665 | 0.91 | — | — | |
| Nitrilotriacetic Acid SCHEMBL3796808 | 0.84 | — | — | |
| Nitrilotriacetic Acid SCHEMBL3865107 | 0.84 | — | — | |
| Edetic Acid SCHEMBL3802209 | 0.82 | TDP1 (0.32) | KDM4E | |
| Pentetic Acid SCHEMBL3802223 | 0.81 | TDP1 (0.33) | KDM4E | |
| SCHEMBL12020572 | 0.81 | SMN1; SMN2 (0.31) | SMN1; SMN2KDM4EGAAKMT2A | |
| SCHEMBL12020589 | 0.80 | SMN1; SMN2 (0.33) | SMN1; SMN2KDM4EGAAKMT2A | |
| SCHEMBL4982955 | 0.79 | ALDH1A1 (0.36) | SMN1; SMN2KDM4EGAAKMT2A | |
| SCHEMBL3797792 | 0.79 | — | — | |
| Edetic Acid SCHEMBL4161685 | 0.77 | — | — |
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-2006122888-A1 | INK JET INK AND RECORDING MATERIAL | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2006-11-23 | — | — | WO | disclosed |