Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3416571 | 0.95 | CALCRL (0.71) | CALCRLCYP3A4 | |
| SCHEMBL3416564 | 0.95 | CALCRL (0.71) | CALCRLCYP3A4 | |
| SCHEMBL3353573 | 0.94 | CALCRL (0.72) | CALCRLCYP3A4 | |
| SCHEMBL3353568 | 0.94 | CALCRL (0.72) | CALCRLCYP3A4 | |
| SCHEMBL13204027 | 0.89 | CALCRL (0.83) | CALCRLCYP3A4 | |
| SCHEMBL3355953 | 0.89 | CALCRL (0.73) | CALCRLCYP3A4 | |
| SCHEMBL3354196 | 0.89 | CALCRL (0.83) | CALCRLCYP3A4 | |
| SCHEMBL3357807 | 0.86 | CALCRL (0.50) | CALCRLCYP3A4ROCK2 | |
| SCHEMBL2166617 | 0.86 | CALCRL (0.56) | CALCRLDRD2DRD4DRD3 | |
| SCHEMBL2165997 | 0.86 | CALCRL (0.56) | CALCRLDRD2DRD4DRD3 |
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-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |