Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091382 | 0.88 | CCNB2 (0.40) | SMN1; SMN2CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL5725263 | 0.86 | SCN8A (0.38) | SMN1; SMN2CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL6089925 | 0.86 | ABCB1 (0.42) | SMN1; SMN2CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL6088697 | 0.82 | PTGDR2 (0.46) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL6090892 | 0.81 | BCHE (0.40) | FFAR1NR4A2 | |
| SCHEMBL6088303 | 0.80 | NOS3 (0.46) | SMN1; SMN2HTTKMT2AMAPK1 | |
| SCHEMBL5725097 | 0.78 | CHRNB2 (0.40) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL6088282 | 0.78 | ALOX5 (0.42) | RAB9A | |
| SCHEMBL6092118 | 0.77 | HTR1A (0.44) | HTR1ASCN8AMAPK1 | |
| SCHEMBL6089251 | 0.77 | SLC26A4 (0.49) | CCNB2CDK1CDK4CCNB1CCND1 |
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 |