Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCL5 | P13501 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CCR5 | P51681 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | FABP6 | P51161 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3591668 | 0.81 | CCL5 (0.56) | CCL5ALDH1A1CCR5KCNH2CYP11B2 | |
| SCHEMBL6011500 | 0.81 | CCL5 (0.48) | CCL5ALDH1A1CCR5KCNH2CYP11B2 | |
| SCHEMBL3600771 | 0.81 | CCL5 (0.48) | CCL5ALDH1A1CCR5KCNH2CYP11B2 | |
| SCHEMBL4976049 | 0.81 | CCL5 (0.56) | CCL5ALDH1A1CCR5KCNH2CYP11B2 | |
| SCHEMBL4977533 | 0.79 | CCL5 (0.52) | CCL5ALDH1A1CCR5KCNH2MAPT | |
| SCHEMBL5780248 | 0.70 | CCL5 (0.44) | CCL5ALDH1A1CCR5KCNH2CYP11B2 | |
| SCHEMBL15797400 | 0.69 | CYP3A4 (0.49) | CCL5ALDH1A1CYP11B2CYP3A4CYP11B1 | |
| SCHEMBL4915123 | 0.68 | CCL5 (0.53) | CCL5CCR5KCNH2CYP11B2CYP3A4 | |
| SCHEMBL6982497 | 0.68 | CYP3A4 (0.59) | CCL5ALDH1A1KCNH2KDM1ACYP3A4 | |
| SCHEMBL13393828 | 0.67 | CCR5 (0.46) | CCL5CCR5KCNH2CYP3A4CYP2D6 |
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-1648871-A1 | PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005007629-A1 | PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2005-01-27 | — | — | WO | disclosed |