Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9697877 | 0.83 | TSHR (0.34) | TSHR | |
| SCHEMBL9698944 | 0.80 | TSHR (0.32) | TSHR | |
| SCHEMBL13209021 | 0.74 | CA1 (0.37) | CYP3A4 | |
| SCHEMBL10893713 | 0.72 | CYP3A4 (0.37) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL9699061 | 0.72 | TSHR (0.32) | TSHRCYP3A4 | |
| SCHEMBL20181057 | 0.72 | PAOX (0.43) | PAOX | |
| SCHEMBL8769833 | 0.71 | TSHR (0.51) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL9699007 | 0.71 | TSHR (0.34) | TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL14605241 | 0.71 | CYP3A4 (0.36) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL22851649 | 0.71 | GAA (0.44) | TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008008518-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-01-17 | — | — | WO | disclosed |