Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3123975 | 0.77 | LOXL2 (0.50) | LOXL2LOX | |
| SCHEMBL7993752 | 0.77 | LOXL2 (0.34) | LOXL2LOX | |
| SCHEMBL3126373 | 0.76 | ALDH1A1 (0.33) | SMN1; SMN2LOXL2LOXTSHR | |
| SCHEMBL1419723 | 0.75 | FDPS (0.42) | LOXL2LOXCCNE1CDK2CDK5 | |
| SCHEMBL1419741 | 0.74 | SMN1; SMN2 (0.40) | SMN1; SMN2TSHRCCNE1CDK2CDK5 | |
| SCHEMBL25564576 | 0.74 | HCAR2 (0.47) | SMN1; SMN2TSHRCCNE1CDK2 | |
| SCHEMBL2171633 | 0.74 | LOXL2 (0.38) | LOXL2LOX | |
| SCHEMBL18116435 | 0.73 | SMN1; SMN2 (0.63) | SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL1419347 | 0.70 | LOXL2 (0.38) | LOXL2LOXTSHR | |
| SCHEMBL3121233 | 0.70 | LOXL2 (0.33) | LOXL2LOX |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493875-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-09-05 | — | — | EP | disclosed |
| EP-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2011056440-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |
| EP-2297112-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2011-03-23 | — | — | EP | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |
| WO-2009137338-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-12 | — | — | WO | disclosed |