Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL445217 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NQO2CA1CA2CA4 | |
| SCHEMBL17835353 | 0.76 | TSHR (0.39) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL2591827 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL629133 | 0.74 | CA1 (0.50) | ALDH1A1NQO2CA1CA2CA4 | |
| SCHEMBL2102966 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL8998220 | 0.71 | ALDH1A1 (0.33) | ALDH1A1NQO2 | |
| SCHEMBL15352048 | 0.71 | CYP2A6 (0.40) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL3761218 | 0.69 | ALDH1A1 (0.43) | ALDH1A1NQO2CA1CA2CA4 | |
| SCHEMBL31168893 | 0.69 | ALDH1A1 (0.43) | ALDH1A1NQO2CA1CA2CA4 | |
| SCHEMBL1224540 | 0.67 | CA4 (0.38) | ALDH1A1CA1CA2CA4CYP1A2 |
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-0210452-B1 | PROCESS FOR THE PREPARATION OF PARTIALLY ESTERIFIED SILICON HALIDES | HÜLS AKTIENGESELLSCHAFT (DE) | 1992-05-06 | — | — | EP | disclosed |
| US-4677215-A | Method of preparing partially esterified silicon halides | DYNAMIT NOBEL AG (DE) | 1987-06-30 | — | — | US | disclosed |
| EP-0210452-A2 | Process for the preparation of partially esterified silicon halides | HÜLS AKTIENGESELLSCHAFT (DE) | 1987-02-04 | — | — | EP | disclosed |