Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CALCA | P06881 | 8/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 6/20 | 0.38 |
| ▸ | ACACB | O00763 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22796661 | 0.90 | CALCA (0.40) | CALCACALCRL | |
| SCHEMBL28708104 | 0.90 | CALCA (0.40) | CALCACALCRL | |
| SCHEMBL29549510 | 0.86 | ACACB (0.43) | CALCACALCRLACACB | |
| SCHEMBL29996805 | 0.86 | ACACB (0.43) | CALCACALCRLACACB | |
| SCHEMBL28704453 | 0.86 | ACACB (0.43) | CALCACALCRLACACB | |
| SCHEMBL22796477 | 0.86 | ACACB (0.43) | CALCACALCRLACACB | |
| SCHEMBL3353840 | 0.85 | CALCA (0.41) | CALCACALCRL | |
| SCHEMBL3353834 | 0.85 | CALCA (0.41) | CALCACALCRL | |
| SCHEMBL107000 | 0.79 | CALCA (0.39) | CALCACALCRL | |
| SCHEMBL22796447 | 0.79 | CALCA (0.39) | CALCACALCRL |
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-1740577-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103037-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |