Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 13/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL13062468 | 0.80 | CALCRL (0.39) | CALCRLCYP3A4RORC | |
| SCHEMBL14146298 | 0.77 | CALCRL (0.44) | CALCRLCYP3A4 | |
| SCHEMBL15701574 | 0.77 | CALCRL (0.44) | CALCRLCYP3A4 | |
| SCHEMBL4223720 | 0.71 | CALCRL (0.66) | CALCRLCYP3A4 | |
| SCHEMBL4223721 | 0.71 | CALCRL (0.66) | CALCRLCYP3A4 | |
| SCHEMBL13062472 | 0.69 | CALCRL (0.38) | CALCRL | |
| SCHEMBL14146491 | 0.68 | CALCRL (0.46) | CALCRLCYP3A4 | |
| SCHEMBL13062705 | 0.67 | CALCRL (0.37) | CALCRLCYP3A4 | |
| SCHEMBL13062691 | 0.65 | CALCRL (0.40) | CALCRLCYP3A4 | |
| SCHEMBL13792285 | 0.65 | CALCRL (0.70) | CALCRLCYP3A4 |
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-2009105348-A1 | IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-08-27 | — | — | WO | disclosed |