Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL4509473 | 0.91 | KMT2A (0.57) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4496687 | 0.90 | KMT2A (0.56) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4507747 | 0.90 | KMT2A (0.56) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4510344 | 0.90 | KMT2A (0.56) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4506552 | 0.90 | KMT2A (0.56) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL5236265 | 0.90 | KMT2A (0.56) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4494251 | 0.82 | MEN1 (0.48) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4506954 | 0.82 | MEN1 (0.44) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4517618 | 0.81 | KMT2A (0.55) | MEN1PGRKMT2AHDAC4SRC | |
| SCHEMBL4511684 | 0.81 | MEN1 (0.44) | MEN1PGRKMT2AHDAC4ERCC5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7553849-B2 | Compounds | ACTIVE BIOTECH AB (SE) | 2009-06-30 | — | — | US | disclosed |