Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 11/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13884894 | 0.85 | BRD4 (0.48) | CRHR1AHRCMA1 | |
| SCHEMBL13907888 | 0.82 | CRHR1 (0.45) | CRHR1NOTUM | |
| SCHEMBL13068201 | 0.81 | BRD4 (0.43) | CRHR1AHRHTR7CMA1 | |
| SCHEMBL12788173 | 0.75 | AHR (0.51) | AHRHTR7NOTUMCMA1SCN9A | |
| SCHEMBL13885026 | 0.72 | AHR (0.51) | AHRHTR7NOTUMCMA1SCN9A | |
| SCHEMBL22335117 | 0.68 | AHR (0.44) | AHRHTR7NOTUMHRH3CMA1 | |
| SCHEMBL1700420 | 0.68 | AHR (0.43) | AHRNOTUMHRH3 | |
| SCHEMBL10250863 | 0.67 | CRHR1 (0.53) | CRHR1NOTUM | |
| SCHEMBL14698684 | 0.66 | AHR (0.59) | AHRHTR7CMA1SCN9A | |
| SCHEMBL1764573 | 0.66 | AHR (0.70) | AHRCMA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |