Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4313325 | 0.84 | CYP11B2 (0.37) | CYP11B2PIK3C3CCR1AURKAROCK2 | |
| SCHEMBL3129453 | 0.80 | PRMT5 (0.43) | PIK3C3CCR1APLNRCA2PIK3CG | |
| SCHEMBL17161760 | 0.80 | PTGS2 (0.39) | CYP11B2PIK3C3CCR1APLNRCA2 | |
| SCHEMBL9908622 | 0.78 | PTGS2 (0.39) | PIK3C3CCR1CA2PIK3CGPIK3CD | |
| SCHEMBL30948992 | 0.77 | CA1 (0.42) | CA2PTGDR2 | |
| SCHEMBL25230493 | 0.77 | CCR1 (0.36) | CYP11B2PIK3C3CCR1APLNRPIK3CG | |
| SCHEMBL17169788 | 0.77 | PIK3CG (0.36) | PIK3C3CCR1APLNRPIK3CGPIK3CD | |
| SCHEMBL13771807 | 0.77 | SMYD3 (0.42) | CYP11B2HTTCA2LMNA | |
| SCHEMBL29541780 | 0.77 | PIK3CG (0.36) | PIK3C3CCR1APLNRPIK3CGPIK3CD | |
| SCHEMBL29658575 | 0.77 | HCAR2 (0.46) | CYP11B2HTTCA2 |
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-2655371-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087782-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | WO | disclosed |