Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3070031 | 1.00 | AURKA (0.38) | AURKARPS6KB1KDM4EALDH1A1CCR2 | |
| SCHEMBL3075218 | 1.00 | AURKA (0.38) | AURKARPS6KB1KDM4EALDH1A1CCR2 | |
| SCHEMBL10237789 | 0.91 | CCR2 (0.40) | AURKARPS6KB1CCR2CCR5TNK2 | |
| SCHEMBL3056540 | 0.91 | CCR2 (0.40) | AURKARPS6KB1CCR2CCR5TNK2 | |
| SCHEMBL2744619 | 0.89 | MAPT (0.38) | AURKARPS6KB1KDM4EALDH1A1HPGD | |
| SCHEMBL14998840 | 0.89 | AURKA (0.35) | AURKARPS6KB1KDM4EALDH1A1CCR2 | |
| SCHEMBL2745258 | 0.89 | MAPT (0.38) | AURKARPS6KB1KDM4EALDH1A1HPGD | |
| SCHEMBL10237790 | 0.88 | CCR2 (0.43) | AURKARPS6KB1CCR2CCR5TP53 | |
| SCHEMBL3062304 | 0.88 | CCR2 (0.43) | AURKARPS6KB1CCR2CCR5TP53 | |
| SCHEMBL3052720 | 0.88 | CCR2 (0.41) | AURKARPS6KB1KDM4ECCR2CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3091012-B1 | CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | CENTREXION THERAPEUTICS CORP (US) | 2018-04-11 | — | — | EP | disclosed |