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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 8/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.53 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL5054345 | 1.00 | KDM4E (0.57) | KDM4ENPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL691131 | 0.88 | NPC1 (0.69) | KDM4ENPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL691132 | 0.88 | NPC1 (0.69) | KDM4ENPC1RAB9AALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL8023969 | 0.87 | NPC1 (0.68) | KDM4ENPC1RAB9AALDH1A1KMT2A | |
| 4-Methoxycinnamic Acid SCHEMBL936504 | 0.86 | THRB (0.73) | NPC1RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| 4-Methoxycinnamic Acid SCHEMBL936503 | 0.86 | THRB (0.73) | NPC1RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL7492183 | 0.81 | POLB (0.53) | KDM4ENPC1RAB9AALDH1A1KMT2A | |
| Coumaric Acid SCHEMBL28582457 | 0.79 | ESR1 (0.70) | RAB9AKMT2AMAOB | |
| 4-Methoxycinnamic Acid SCHEMBL9725991 | 0.79 | THRB (0.62) | NPC1RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL7446249 | 0.79 | POLB (0.54) | KDM4ENPC1RAB9AALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008126971-A1 | POLYMER NANO PARTICLE CONTAINING UV BLOCKING MATERIAL AND METHOD FOR PREPARING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2008-10-23 | — | — | WO | claimed |
| WO-2008126971-A1 | POLYMER NANO PARTICLE CONTAINING UV BLOCKING MATERIAL AND METHOD FOR PREPARING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2008-10-23 | — | — | WO | disclosed |