Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.55 |
| ▸ | CCR5 | P51681 | 16/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.39 |
| ▸ | CCR7 | P32248 | 2/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222495 | 0.93 | CCR2 (0.46) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7969655 | 0.92 | CCR2 (0.60) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7969829 | 0.91 | CCR2 (0.47) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7975106 | 0.91 | CCR2 (0.47) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3031528 | 0.91 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL30227218 | 0.91 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7968773 | 0.90 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3036000 | 0.89 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7972308 | 0.89 | CCR2 (0.56) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3036593 | 0.88 | CCR2 (0.56) | 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-6566535-B1 | Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1184381-A1 | PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |