Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6005547 | 0.88 | CCR5 (0.81) | CCR5KDM4EALDH1A1 | |
| SCHEMBL6006856 | 0.87 | CCR5 (0.74) | CCR5 | |
| SCHEMBL6006092 | 0.86 | CCR5 (0.76) | CCR5KDM4EALDH1A1ACACBACACA | |
| SCHEMBL6008097 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4458526 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6008552 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6006841 | 0.85 | CCR5 (0.65) | CCR5 | |
| SCHEMBL6007326 | 0.84 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6007387 | 0.84 | CCR5 (0.84) | CCR5KDM4EALDH1A1 | |
| SCHEMBL6008248 | 0.84 | CCR5 (0.72) | CCR5 |
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-1716156-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | EP | claimed |
| WO-2005075484-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-18 | — | — | WO | claimed |