Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 10/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.33 |
| ▸ | CALCA | P06881 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13601385 | 0.97 | CALCRL (0.36) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601342 | 0.97 | CALCRL (0.35) | CALCRLCYP3A4CALCAENPP2 | |
| SCHEMBL13601383 | 0.94 | CALCRL (0.36) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601340 | 0.94 | CALCRL (0.36) | CALCRLCYP3A4CALCAENPP2 | |
| SCHEMBL13601335 | 0.92 | CALCRL (0.37) | CALCRLCYP3A4CALCAENPP2 | |
| SCHEMBL13601382 | 0.91 | CALCRL (0.37) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601347 | 0.91 | CALCRL (0.35) | CALCRLCYP3A4CALCAENPP2 | |
| SCHEMBL13601346 | 0.89 | CALCRL (0.36) | CALCRLCYP3A4CALCAENPP2 | |
| SCHEMBL13601380 | 0.89 | CALCRL (0.38) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601389 | 0.88 | CALCRL (0.36) | CALCRLCYP3A4CALCA |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |