Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.59 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204397 | 0.82 | CCR5 (0.72) | CCR5NPC1RAB9A | |
| SCHEMBL5205911 | 0.81 | CCR5 (0.71) | CCR5NPC1RAB9A | |
| SCHEMBL5551191 | 0.80 | CCR5 (0.55) | CCR5NPC1RAB9A | |
| SCHEMBL5205484 | 0.80 | CCR5 (0.56) | CCR5NPC1RAB9A | |
| SCHEMBL5210037 | 0.78 | CCR5 (0.56) | CCR5 | |
| SCHEMBL7685139 | 0.75 | CCR5 (0.53) | CCR5 | |
| SCHEMBL3034760 | 0.75 | CCR5 (0.73) | CCR5 | |
| SCHEMBL8122857 | 0.75 | CCR5 (1.00) | CCR5 | |
| Hydrochloric Acid SCHEMBL3040819 | 0.74 | CCR5 (0.98) | CCR5 | |
| SCHEMBL7698641 | 0.74 | CCR5 (0.66) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6413947-B1 | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| 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 |