Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17904691 | 0.88 | HTT (0.54) | ALDH1A1KDM4EHTTSMN1; SMN2BCHE | |
| SCHEMBL11439994 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4EHTTSMN1; SMN2LTA4H | |
| SCHEMBL8498255 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KDM4EHTTSMN1; SMN2BCHE | |
| SCHEMBL11446328 | 0.81 | SLC2A1 (0.50) | ALDH1A1LTA4HNPY5RSLC2A1PPARG | |
| Hydrochloric Acid SCHEMBL17923801 | 0.80 | FFAR1 (0.54) | NPY5RPPARGPPARAFFAR1ACACB | |
| Hydrochloric Acid SCHEMBL17923802 | 0.80 | FFAR1 (0.54) | NPY5RPPARGPPARAFFAR1ACACB | |
| SCHEMBL7756966 | 0.80 | KDM4E (0.70) | ALDH1A1KDM4EHTTSMN1; SMN2BCHE | |
| Hydrochloric Acid SCHEMBL9079843 | 0.78 | KDM4E (0.68) | ALDH1A1KDM4EHTTSMN1; SMN2BCHE | |
| SCHEMBL9407510 | 0.78 | MEN1 (0.56) | ALDH1A1KDM4EBCHECYP1A2CYP2D6 | |
| SCHEMBL8497858 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4EHTTSMN1; SMN2BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0009683-A1 | Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions | MERCK PATENT GmbH (DE) | 1980-04-16 | — | — | EP | disclosed |