Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL7215861 | 1.00 | CCR5 (0.42) | CCR5GPR119TP53MAPTTHRB | |
| SCHEMBL7221955 | 0.89 | CCR5 (0.47) | CCR5GPR119TP53MAPTTHRB | |
| SCHEMBL7222809 | 0.86 | CCR5 (0.54) | CCR5CCR2 | |
| Hydrochloric Acid SCHEMBL7216653 | 0.84 | CCR5 (0.46) | CCR5CCR2 | |
| SCHEMBL5212717 | 0.83 | CCR2 (0.58) | CCR5CCR2 | |
| SCHEMBL7215746 | 0.83 | GPR119 (0.51) | CCR5GPR119TP53MAPTTHRB | |
| SCHEMBL7216317 | 0.82 | KDM4E (0.50) | CCR5GPR119TP53MAPTTHRB | |
| SCHEMBL7221463 | 0.82 | GPR119 (0.54) | CCR5GPR119CCR2 | |
| SCHEMBL7218235 | 0.79 | CCR2 (0.47) | CCR5CCR2 | |
| SCHEMBL7216631 | 0.76 | CCR5 (0.51) | CCR5CCR2 |
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 |