Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15685104 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHEKDM4EFAAH | |
| Acetic Acid Butyl Ester SCHEMBL28409683 | 0.85 | ALDH1A1 (0.75) | ALDH1A1TSHRACHEFAAHPAOX | |
| SCHEMBL5247338 | 0.84 | ACHE (0.46) | ALDH1A1TSHRACHEKDM4ESMN1; SMN2 | |
| SCHEMBL5249867 | 0.84 | ACHE (0.46) | ALDH1A1TSHRACHEKDM4ESMN1; SMN2 | |
| SCHEMBL15164687 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TSHRACHEKDM4ESMN1; SMN2 | |
| SCHEMBL5247229 | 0.83 | ACHE (0.73) | ALDH1A1ACHEKDM4ESMN1; SMN2 | |
| SCHEMBL5249042 | 0.83 | EPHX1 (0.56) | ALDH1A1TSHRACHEKDM4ESMN1; SMN2 | |
| SCHEMBL5245754 | 0.83 | ACHE (0.73) | ALDH1A1ACHEKDM4ESMN1; SMN2 | |
| SCHEMBL5248040 | 0.83 | EPHX1 (0.56) | ALDH1A1TSHRACHEKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9558506 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRACHEFAAHPAOX |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718600-A4 | SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE | EXXONMOBIL RES & ENG CO (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1718600-A1 | SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE | ExxonMobil Research and Engineering Company (US) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005082836-A1 | SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |