Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 15/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 9/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19652346 | 0.91 | NPSR1 (0.38) | NPSR1MEN1KMT2AHCRTR2TSHR | |
| SCHEMBL17863848 | 0.86 | NPSR1 (0.40) | NPSR1MEN1KMT2AHCRTR2TSHR | |
| SCHEMBL19604257 | 0.85 | NPSR1 (0.39) | NPSR1MEN1KMT2AHCRTR2TSHR | |
| SCHEMBL17724395 | 0.84 | NPSR1 (0.56) | NPSR1MEN1KMT2ATSHR | |
| SCHEMBL27055106 | 0.84 | NPSR1 (0.55) | NPSR1MEN1KMT2ATSHR | |
| SCHEMBL19574012 | 0.82 | HCRTR2 (0.43) | MEN1KMT2AHCRTR2HCRTR1 | |
| SCHEMBL17856314 | 0.81 | PARP1 (0.40) | MEN1KMT2ATSHR | |
| SCHEMBL19604256 | 0.78 | HCRTR2 (0.48) | HCRTR2HCRTR1 | |
| SCHEMBL19604254 | 0.75 | HCRTR2 (0.64) | HCRTR2HCRTR1 | |
| SCHEMBL19604255 | 0.75 | HCRTR2 (0.64) | HCRTR2HCRTR1 |
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-2016106106-A2 | FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | WO | disclosed |