Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.64 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14526959 | 0.96 | CALCRL (0.62) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526945 | 0.94 | CALCRL (0.60) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526946 | 0.94 | CALCRL (0.64) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526957 | 0.93 | CALCRL (0.64) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526944 | 0.91 | CALCRL (0.61) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526787 | 0.90 | CALCRL (0.79) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526937 | 0.89 | CALCRL (0.62) | CALCRLCYP3A4 | |
| SCHEMBL14526791 | 0.88 | CALCRL (0.79) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL14526925 | 0.87 | CALCRL (0.63) | CALCRLCYP3A4RAMP1CYP2D6 | |
| SCHEMBL5660798 | 0.87 | CALCRL (0.63) | CALCRLCYP3A4RAMP1 |
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-7205294-B2 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-17 | — | — | US | disclosed |
| US-7205294-B2 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-17 | — | — | US | disclosed |