Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.62 |
| ▸ | PLAU | P00749 | 2/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5209972 | 0.99 | CCR5 (0.62) | CCR5PLAU | |
| SCHEMBL5209151 | 0.79 | RAB9A (0.64) | NR1H4 | |
| SCHEMBL13148216 | 0.78 | KDM4E (0.60) | CCR5 | |
| Hydrochloric Acid SCHEMBL313016 | 0.77 | KDM4E (0.58) | CCR5 | |
| Iodide SCHEMBL3081498 | 0.77 | KDM4E (0.58) | CCR5 | |
| SCHEMBL13148211 | 0.77 | KDM4E (0.61) | CCR5 | |
| SCHEMBL15996742 | 0.77 | CCR5 (1.00) | CCR5 | |
| Hydrochloric Acid SCHEMBL314134 | 0.76 | KDM4E (0.60) | CCR5 | |
| Iodide SCHEMBL3086670 | 0.76 | KDM4E (0.60) | CCR5 | |
| Iodide SCHEMBL7682552 | 0.76 | CCR5 (0.98) | 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-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |