Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1470185 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B | |
| SCHEMBL29510932 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B | |
| SCHEMBL10399922 | 0.81 | DRD4 (0.47) | DRD2DRD4DRD3APPNPC1 | |
| SCHEMBL30843232 | 0.81 | TLR4 (0.50) | APPMGLL | |
| SCHEMBL2582155 | 0.81 | TLR4 (0.50) | APPMGLL | |
| SCHEMBL10479366 | 0.81 | DRD2 (0.63) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B | |
| SCHEMBL6090065 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B | |
| SCHEMBL4190714 | 0.78 | KDM4E (0.50) | NPC1ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL22964159 | 0.77 | TLR4 (0.53) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B | |
| SCHEMBL11231915 | 0.77 | CHRNB2 (0.67) | CHRNB2CHRNA4ADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-7005440-B1 | Therapeutic uses of tri-aryl acid derivatives | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2006-02-28 | — | — | US | disclosed |
| EP-1177176-A1 | TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS | Aventis Pharma Deutschland GmbH (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000064876-A1 | TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-11-02 | — | — | WO | disclosed |