Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 7/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.36 |
| ▸ | GPR6 | P46095 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1669806 | 0.95 | AR (0.43) | LNPEPARHRH4HRH3HCAR3 | |
| SCHEMBL23304425 | 0.75 | HCAR3 (0.48) | LNPEPPTGS1PTGS2HCAR3S1PR1 | |
| SCHEMBL30290183 | 0.75 | HCAR3 (0.48) | LNPEPPTGS1PTGS2HCAR3S1PR1 | |
| Trifluoroacetic Acid SCHEMBL1670540 | 0.74 | SCN10A (0.46) | LNPEPHRH4HRH3MALT1GPR6 | |
| SCHEMBL25074453 | 0.73 | IDH1 (0.43) | — | |
| SCHEMBL25074260 | 0.73 | MAPK1 (0.49) | HRH4PTPN1 | |
| Hydrochloric Acid SCHEMBL23360049 | 0.72 | MAPK1 (0.47) | HRH3 | |
| Hydrochloric Acid SCHEMBL29862503 | 0.72 | MAPK1 (0.47) | HRH3 | |
| SCHEMBL23360144 | 0.71 | ALDH1A1 (0.60) | PTPN1 | |
| Trifluoroacetic Acid SCHEMBL2712250 | 0.70 | MAPK1 (0.46) | HRH4HRH3HCAR3S1PR1MALT1 |
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-2491028-A1 | INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011049917-A1 | INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-28 | — | — | WO | disclosed |