Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.85 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.53 |
| ▸ | CALCA | P06881 | 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 | |
|---|---|---|---|---|
| SCHEMBL2516458 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| SCHEMBL1670790 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| SCHEMBL30231460 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| SCHEMBL1670772 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| SCHEMBL30231391 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| SCHEMBL1670773 | 1.00 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| Rimegepant SCHEMBL24131009 | 0.92 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| Rimegepant SCHEMBL29374210 | 0.92 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| Rimegepant SCHEMBL2523699 | 0.92 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA | |
| Rimegepant SCHEMBL29592766 | 0.92 | CALCRL (1.00) | CALCRLADRB2CYP3A4RAMP1CALCA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488512-A1 | CGRP RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011046997-A1 | CGRP RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-21 | — | — | WO | disclosed |