Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.53 |
| ▸ | CCR2 | P41597 | 2/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | CCR7 | P32248 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223533 | 0.95 | CCR5 (0.54) | CCR5CCR2CCR3 | |
| SCHEMBL7215850 | 0.90 | CCR5 (0.55) | CCR5 | |
| SCHEMBL7167229 | 0.86 | CCR5 (0.55) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL7221463 | 0.84 | GPR119 (0.54) | CCR5CCR2CCR3 | |
| Hydrochloric Acid SCHEMBL7222856 | 0.84 | CCR5 (0.50) | CCR5CCR2CCR3 | |
| SCHEMBL7216461 | 0.80 | CCR5 (0.52) | CCR5CCR2CCR3 | |
| SCHEMBL7215746 | 0.79 | GPR119 (0.51) | CCR5 | |
| SCHEMBL7222422 | 0.79 | CHRM4 (0.62) | CCR5 | |
| SCHEMBL7221530 | 0.78 | CCR5 (0.46) | CCR5CXCR3 | |
| SCHEMBL7216317 | 0.75 | KDM4E (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |