Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.35 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13358948 | 0.86 | NR3C2 (0.40) | NR3C2KIF11EPHX1VNN1APP | |
| SCHEMBL2400367 | 0.79 | NR3C2 (0.41) | NR3C2KIF11EPHX1VNN1APP | |
| SCHEMBL28117960 | 0.75 | KIF11 (0.42) | KIF11APPAR | |
| SCHEMBL29470166 | 0.75 | KDR (0.51) | NR3C2APP | |
| SCHEMBL10299815 | 0.75 | KIF11 (0.58) | KIF11APPKMOAR | |
| SCHEMBL67628 | 0.75 | KIF11 (0.58) | KIF11APPKMOAR | |
| SCHEMBL2399600 | 0.74 | RECQL (0.51) | EPHX1 | |
| SCHEMBL15157445 | 0.74 | KIF11 (0.50) | KIF11APP | |
| SCHEMBL15157215 | 0.73 | TRPV4 (0.40) | — | |
| SCHEMBL16649295 | 0.72 | TUBB1 (0.49) | — |
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-2297112-B1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2013-04-03 | — | — | EP | disclosed |
| US-8293917-B2 | Pyrazole compounds as CCR1 antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |