Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.45 |
| ▸ | CCR5 | P51681 | 14/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.35 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | CCR7 | P32248 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL6340350 | 0.90 | CCR2 (0.44) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6338774 | 0.89 | CCR2 (0.47) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6341947 | 0.89 | CCR5 (0.54) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6341365 | 0.88 | CCR2 (0.43) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6341918 | 0.86 | CCR2 (0.52) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6350460 | 0.86 | CCR2 (0.49) | CCR2CCR5CXCR3CXCR5CCR7 | |
| Tetrahydrofuran SCHEMBL6341763 | 0.86 | CCR2 (0.52) | CCR2CCR5CXCR3CXCR5CCR7 | |
| Tetrahydrofuran SCHEMBL6341667 | 0.86 | CCR2 (0.48) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6350216 | 0.85 | CCR2 (0.54) | CCR2CCR5CXCR3CXCR5HDAC1 | |
| Tetrahydrofuran SCHEMBL6350335 | 0.85 | CCR2 (0.49) | CCR2CCR5CXCR3CXCR5CCR7 |
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-6936602-B1 | Benzazepine derivatives, process for the preparation of the same and uses thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-30 | — | — | US | disclosed |
| EP-1186604-A1 | BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-03-13 | — | — | EP | disclosed |