Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1825131 | 0.84 | SCN4A (0.47) | ALDH1A1KDM4ESCN2ACA12CA1 | |
| SCHEMBL22096830 | 0.82 | NAMPT (0.53) | ALDH1A1SMN1; SMN2KDM4ENAMPTAR | |
| SCHEMBL6089172 | 0.80 | NAMPT (0.35) | ALDH1A1SMN1; SMN2KDM4ENAMPTCA2 | |
| SCHEMBL6832124 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EGAAGABRA1 | |
| SCHEMBL16479215 | 0.76 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EGAAGABRA1 | |
| SCHEMBL23491315 | 0.76 | TSHR (0.48) | SMN1; SMN2SCN2ACA12CA1CA9 | |
| SCHEMBL9921644 | 0.76 | SCN8A (0.40) | SCN2ACA12CA1CA9AR | |
| SCHEMBL73389 | 0.76 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EGAAGABRA1 | |
| SCHEMBL9186079 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EGAAGABRA1 | |
| SCHEMBL11333666 | 0.75 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EGAAGABRA1 |
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 |