Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 6/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12633130 | 1.00 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL3073382 | 0.93 | CCR2 (0.41) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL3052720 | 0.93 | CCR2 (0.41) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL3053389 | 0.93 | CCR2 (0.41) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL10237789 | 0.92 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1TNK2 | |
| SCHEMBL3056540 | 0.92 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1TNK2 | |
| SCHEMBL3055916 | 0.91 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL12632848 | 0.91 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL3058066 | 0.91 | CCR2 (0.40) | CCR2CCR5AURKARPS6KB1HTT | |
| SCHEMBL3107687 | 0.89 | CCR2 (0.51) | CCR2CCR5AURKARPS6KB1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011073154-A1 | NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |