Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL82063 | 0.84 | ACHE (0.34) | ACHEPTPN1ALOX5CYP3A4QDPR | |
| SCHEMBL14087689 | 0.81 | ERN1 (0.30) | — | |
| SCHEMBL14087908 | 0.80 | ALOX15 (0.33) | PTPN1ALOX5 | |
| SCHEMBL14087688 | 0.70 | — | — | |
| SCHEMBL14087777 | 0.70 | — | — | |
| SCHEMBL7960252 | 0.69 | TSHR (0.64) | — | |
| SCHEMBL15348686 | 0.67 | SLC6A2 (0.46) | CYP3A4ESR2 | |
| SCHEMBL17158371 | 0.67 | SLC6A2 (0.46) | ESR2 | |
| Acetic Acid SCHEMBL11185193 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL8291267 | 0.67 | SLC6A2 (0.50) | CYP3A4 |
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-1658350-B1 | COMPOUNDS FOR USE IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2010-01-20 | — | — | EP | disclosed |