Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 SCHEMBL11580402 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| SCHEMBL8009507 | 0.88 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRALDH1A1LMNAPOLB | |
| Myralact SCHEMBL28295985 | 0.87 | SIGMAR1 (0.49) | SMN1; SMN2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL29181581 | 0.87 | SIGMAR1 (0.49) | SMN1; SMN2TSHRALDH1A1LMNAKDM4E | |
| Ethylene Glycol SCHEMBL4333640 | 0.85 | TSHR (0.80) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| Ethylene Glycol SCHEMBL4329926 | 0.85 | TSHR (0.80) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| SCHEMBL9391364 | 0.82 | TSHR (0.61) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| SCHEMBL6904987 | 0.82 | SMN1; SMN2 (0.61) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| 1,4-Butanediol SCHEMBL28575010 | 0.81 | TSHR (0.73) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| 1,3-Propanediol SCHEMBL16044212 | 0.81 | TSHR (0.73) | SMN1; SMN2TSHRCA1CA2MMP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112342097-A | Anhydrous car washing liquid and preparation method thereof | 四川殿邦科技有限公司 | 2021-02-09 | — | — | CN | claimed |
| CN-115108947-A | Strong detergency alkyl polyoxyethylene ether benzene sulfonic acid and its salt and use | 广州市浪奇实业股份有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-112342097-A | Anhydrous car washing liquid and preparation method thereof | 四川殿邦科技有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-110003994-A | A kind of efficient cleaning paste and preparation method thereof | 广州中洁清洗环保科技有限公司 | 2019-07-12 | — | — | CN | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |