Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CALCA | P06881 | 9/20 | 0.45 |
| ▸ | CALCRL | Q16602 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12990549 | 0.87 | CALCA (0.46) | CALCACALCRL | |
| SCHEMBL12990708 | 0.85 | CALCA (0.47) | CALCACALCRL | |
| SCHEMBL12990698 | 0.83 | CALCRL (0.52) | CALCACALCRL | |
| SCHEMBL12628016 | 0.82 | CALCA (0.52) | CALCACALCRL | |
| SCHEMBL12048962 | 0.81 | CALCRL (0.50) | CALCACALCRL | |
| SCHEMBL4501816 | 0.79 | CALCA (0.48) | CALCACALCRL | |
| SCHEMBL12049395 | 0.79 | CALCRL (0.48) | CALCACALCRL | |
| SCHEMBL12990498 | 0.78 | CALCRL (0.46) | CALCACALCRL | |
| SCHEMBL12990699 | 0.78 | CALCA (0.49) | CALCACALCRL | |
| SCHEMBL12049385 | 0.77 | CALCA (0.55) | CALCACALCRL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954135-B1 | SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| WO-2007061677-A2 | SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |