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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | MMP2 | P08253 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL356640 | 0.84 | CA2 (0.57) | TSHRCA1MMP2MMP9MMP8 | |
| SCHEMBL28268315 | 0.82 | CA2 (0.55) | TSHRCA1MMP2MMP9MMP8 | |
| P-Nitrophenylphosphate SCHEMBL7171417 | 0.80 | CA1 (0.73) | TSHRKMT2ACA1MMP2MMP9 | |
| Nitrobenzene SCHEMBL2241015 | 0.78 | ALDH1A1 (0.61) | TSHRKMT2ACHRM2CES2CES1 | |
| SCHEMBL259753 | 0.77 | TSHR (0.68) | TSHRKMT2ACA1CA12CHRM2 | |
| SCHEMBL195897 | 0.75 | MAPT (0.55) | KMT2AMAPTABCG2ALDH1A1 | |
| SCHEMBL3119525 | 0.75 | CHRM2 (0.70) | TSHRKMT2ACA1CA12CHRM2 | |
| SCHEMBL9060802 | 0.74 | TSHR (0.64) | TSHRKMT2ACA1CA12CHRM2 | |
| SCHEMBL26118098 | 0.73 | AKR1C3 (0.54) | TSHRKMT2ACA1MMP2MMP9 | |
| SCHEMBL9194346 | 0.73 | CHRM2 (0.62) | TSHRKMT2ACA1CA12CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107400160-A | Anti- relaxation, the peptide to compact and include its cosmetics | 温州千瑞生物科技有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-107365355-A | The peptide of anti-wrinkle and the cosmetics for including it | 温州千瑞生物科技有限公司 | 2017-11-21 | — | — | CN | disclosed |