Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 6/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 6/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CCR7 | P32248 | 2/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13148497 | 0.86 | CCR5 (0.50) | CCR2THRBCCR5HDAC1MCHR1 | |
| SCHEMBL7216354 | 0.82 | CCR2 (0.61) | CCR2CCR5HDAC1MCHR1CCR7 | |
| SCHEMBL7218106 | 0.81 | CCR2 (0.61) | CCR2CCR5HDAC1MCHR1CCR7 | |
| SCHEMBL5204989 | 0.78 | CCR2 (0.59) | CCR2CCR5HDAC1MCHR1CCR7 | |
| SCHEMBL5209524 | 0.76 | CCR2 (0.73) | CCR2CCR5CCR7CXCR3 | |
| SCHEMBL5209267 | 0.76 | CCR2 (0.55) | CCR2CCR5HDAC1MCHR1 | |
| SCHEMBL5205096 | 0.75 | CCR2 (0.72) | CCR2CCR5 | |
| SCHEMBL5203761 | 0.75 | CCR2 (0.72) | CCR2CCR5HDAC1CCR7CXCR3 | |
| SCHEMBL3026537 | 0.75 | CCR2 (0.77) | CCR2CCR5 | |
| SCHEMBL5204966 | 0.75 | CCR2 (1.00) | CCR2CCR5CCR7CXCR3 |
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 |