Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.45 |
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
| ▸ | ADH1A | P07327 | 1/20 | 0.44 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | ADH7 | P40394 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10688479 | 1.00 | TSHR (0.55) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL10686025 | 1.00 | TSHR (0.55) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL10687887 | 1.00 | TSHR (0.55) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL10686612 | 1.00 | TSHR (0.55) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL10687034 | 1.00 | TSHR (0.55) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL11324424 | 0.98 | TSHR (0.57) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL2608049 | 0.90 | TSHR (0.50) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL15114026 | 0.84 | TSHR (0.52) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL15114057 | 0.84 | TSHR (0.52) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL15114072 | 0.84 | TSHR (0.52) | TSHRALDH1A1EPHX1ADH1BADH1C |
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-2170848-B1 | PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES | ASTRAZENECA AB (SE) | 2014-10-22 | — | — | EP | disclosed |