Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.52 |
| ▸ | CCR5 | P51681 | 14/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.39 |
| ▸ | CCR7 | P32248 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7971833 | 0.96 | CCR2 (0.55) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL7958724 | 0.95 | CCR2 (0.55) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL3036593 | 0.94 | CCR2 (0.56) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL30227439 | 0.94 | CCR2 (0.56) | CCR2CCR5CXCR3CXCR5CCR7 | |
| Hydrochloric Acid SCHEMBL7931139 | 0.93 | CCR2 (0.55) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL7958752 | 0.92 | CCR2 (0.56) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL7969651 | 0.92 | CCR2 (0.53) | CCR2CCR5CXCR3CXCR5CCR7 | |
| Sulfuric Acid SCHEMBL7972067 | 0.92 | CCR2 (0.53) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL3032178 | 0.91 | CCR2 (0.56) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL7970522 | 0.91 | CCR2 (0.56) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |