Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.65 |
| ▸ | CCR5 | P51681 | 14/20 | 0.47 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.47 |
| ▸ | CCR7 | P32248 | 2/20 | 0.47 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222732 | 0.92 | CCR2 (0.70) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7223014 | 0.88 | CCR2 (0.65) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7222258 | 0.87 | CCR2 (0.80) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7215741 | 0.87 | CCR2 (0.70) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7222708 | 0.87 | CCR2 (0.67) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7216565 | 0.87 | CCR2 (0.69) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7216624 | 0.85 | CCR2 (0.74) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7216574 | 0.84 | CCR2 (0.68) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7222327 | 0.84 | CCR2 (0.72) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7216952 | 0.84 | CCR2 (0.72) | CCR2CCR5CXCR3CCR7CXCR5 |
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 |