Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | TACR2 | P21452 | 14/20 | 0.42 |
| ▸ | TACR1 | P25103 | 12/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL13345672 | 0.94 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6543209 | 0.89 | TACR3 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7944707 | 0.89 | TACR3 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13039469 | 0.86 | SLC6A2 (0.46) | CCR5 | |
| SCHEMBL6998286 | 0.86 | TACR1 (0.49) | CCR5TACR1 | |
| SCHEMBL7462568 | 0.86 | CCR5 (0.56) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7462578 | 0.86 | CCR5 (0.56) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8351834 | 0.84 | CCR5 (0.54) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16553847 | 0.84 | MEN1 (0.48) | CCR5TACR1 | |
| SCHEMBL14415543 | 0.84 | CCR5 (0.55) | CCR5PDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946548-B1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | AVENTIS PHARMA INC (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-0946548-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| US-5861417-A | TACHYKININ RECEPTOR ANTAGONISTS USEFUL IN TREATING ASTHMA, COUGH, BRONCHITIS, PAIN | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1998027086-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |