Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CALCA | P06881 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13601572 | 1.00 | CALCRL (0.33) | CALCRLCYP3A4EPHX2CALCAALDH1A1 | |
| SCHEMBL13601555 | 0.92 | CALCRL (0.36) | CALCRLCYP3A4EPHX2CALCAALDH1A1 | |
| SCHEMBL13601573 | 0.92 | CALCRL (0.36) | CALCRLCYP3A4EPHX2CALCAALDH1A1 | |
| SCHEMBL13601557 | 0.88 | CALCRL (0.35) | CALCRLCYP3A4EPHX2CALCAALDH1A1 | |
| SCHEMBL13601574 | 0.88 | CALCRL (0.35) | CALCRLCYP3A4EPHX2CALCAALDH1A1 | |
| SCHEMBL13601562 | 0.87 | CALCRL (0.34) | CALCRLCYP3A4EPHX2CALCASMYD3 | |
| SCHEMBL13601576 | 0.87 | CALCRL (0.34) | CALCRLCYP3A4EPHX2CALCASMYD3 | |
| SCHEMBL13601585 | 0.86 | CALCRL (0.34) | CALCRLCYP3A4EPHX2CALCA | |
| SCHEMBL13601571 | 0.86 | CALCRL (0.34) | CALCRLCYP3A4EPHX2CALCA | |
| SCHEMBL13601563 | 0.85 | CALCRL (0.33) | CALCRLCYP3A4EPHX2SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |