Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1414647 | 0.91 | ESR1 (0.41) | ALDH1A1TDP1MAPK1CA1CA2 | |
| SCHEMBL10538145 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1MAPK1KIF11CA1 | |
| SCHEMBL21495110 | 0.80 | KIF11 (0.43) | ALDH1A1MAPK1KIF11CA1CA2 | |
| SCHEMBL4015306 | 0.80 | KCNN4 (0.50) | ALDH1A1KIF11MEN1KMT2AKCNN4 | |
| SCHEMBL8796837 | 0.80 | KIF11 (0.43) | MAPK1KIF11MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5255832 | 0.80 | ESR1 (0.59) | ALDH1A1TDP1KIF11CA1CA2 | |
| SCHEMBL6629671 | 0.78 | KIF11 (0.41) | ALDH1A1TDP1MAPK1KIF11MAOA | |
| SCHEMBL17941356 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1KIF11CA1 | |
| SCHEMBL3083376 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1KIF11CA1 | |
| SCHEMBL3956177 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1KIF11CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1748993-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005116000-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2005-12-08 | — | — | WO | disclosed |
| EP-1581214-A1 | 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS | Astrazeneca AB (SE) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004058255-A1 | 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS | ASTRAZENECA AB (SE) | 2004-07-15 | — | — | WO | disclosed |