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 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.38 |
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 SCHEMBL5874579 | 0.90 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRCA1CA2MMP1 | |
| Propene SCHEMBL436529 | 0.84 | TSHR (0.73) | SMN1; SMN2TSHRTDP1CA1CA2 | |
| Propene SCHEMBL6243344 | 0.84 | TSHR (0.73) | SMN1; SMN2TSHRTDP1CA1CA2 | |
| Propene SCHEMBL11422813 | 0.84 | TSHR (0.73) | SMN1; SMN2TSHRTDP1CA1CA2 | |
| SCHEMBL8009507 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRTDP1ALDH1A1POLB | |
| Propene SCHEMBL28180423 | 0.82 | TSHR (0.70) | SMN1; SMN2TSHRTDP1CA1CA2 | |
| SCHEMBL29181581 | 0.81 | SIGMAR1 (0.49) | SMN1; SMN2TSHRALDH1A1KDM4ELMNA | |
| Myralact SCHEMBL28295985 | 0.81 | SIGMAR1 (0.49) | SMN1; SMN2TSHRALDH1A1KDM4ELMNA | |
| Trolamine SCHEMBL10624981 | 0.81 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRTDP1MMP1MMP8 | |
| Diethanolamine SCHEMBL11126581 | 0.79 | TDP1 (0.70) | SMN1; SMN2TSHRTDP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4105592-A | NONIONIC AND ANIONIC SURFACTANTS, ALKANOLAMINES, FATTY ACID-BASED CORROSION INHIBITORS, ALKALI METAL BASES | THE PROCTER & GAMBLE COMPANY (US) | 1978-08-08 | — | — | US | disclosed |
| US-4079078-A | NONIONIC AND ANIONIC SURFACTANTS, ALKANOLAMINES, FATTY ACIDS, ALKALI METAL BASE | THE PROCTER & GAMBLE COMPANY (US) | 1978-03-14 | — | — | US | disclosed |