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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA6 | P23280 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA5A | P35218 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL8371784 | 0.97 | CA12 (0.53) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL1336029 | 0.93 | ALDH1A1 (0.57) | CA12CA6CA7CA9CA14 | |
| SCHEMBL2478624 | 0.90 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| SCHEMBL18854 | 0.90 | — | — | |
| Diethanolamine SCHEMBL27700041 | 0.90 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| SCHEMBL1230453 | 0.87 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| Monoethanolamine SCHEMBL2506390 | 0.87 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| Water SCHEMBL5595407 | 0.87 | — | — | |
| SCHEMBL10617552 | 0.87 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| SCHEMBL151858 | 0.87 | CA12 (0.69) | CA12CA6CA7CA9CA14 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105817248-A | Nanometer carbon material containing heteroatoms and preparation method and application thereof, and dehydrogenation reaction method for hydrocarbons | 中国石油化工股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| WO-2011021146-A1 | OSTEOPONTIN ANTIBODIES | PFIZER INC. (US) | 2011-02-24 | — | — | WO | disclosed |
| US-4791049-A | RELEASE OF A 1,3,4-THIADIAZOLE-CONTAINING COMPOUND BY OXIDATION OF ITS HYDROQUINONE-TYPE MOIETY; INTERIMAGE EFFECT; SHARPNESS | FUJI PHOTO FILM CO., LTD. (JP) | 1988-12-13 | — | — | US | disclosed |
| US-4720451-A | Silver halide color reversal light-sensitive material | FUJI PHOTO FILM CO., LTD. (JP) | 1988-01-19 | — | — | US | disclosed |
| US-4362795-A | CONTAINING A 4-ALKOXY-1-NAPHTHOL; X-RAY FILM | FUJI PHOTO FILM CO., LTD. (JP) | 1982-12-07 | — | — | US | disclosed |