Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDIA6 | Q15084 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | SI | P14410 | 3/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25797827 | 0.85 | PDIA6 (0.54) | PDIA6ESR1ESR2TP53TDP1 | |
| SCHEMBL25797832 | 0.85 | PDIA6 (0.54) | PDIA6ESR1ESR2TP53TDP1 | |
| SCHEMBL3720136 | 0.83 | PTGS1 (0.53) | PDIA6ESR1ESR2TP53TDP1 | |
| SCHEMBL10801503 | 0.83 | ESR1 (0.56) | PDIA6ESR1ESR2ADRB2NPC1 | |
| SCHEMBL92209 | 0.83 | NR1I2 (0.46) | PDIA6ESR1ESR2TP53TDP1 | |
| SCHEMBL3146478 | 0.82 | DRD2 (0.51) | PDIA6TDP1NPC1MAPTRAB9A | |
| SCHEMBL25261232 | 0.79 | SMN1; SMN2 (0.49) | PDIA6TDP1NPC1MAPTRAB9A | |
| SCHEMBL26023458 | 0.79 | NPC1 (0.48) | PDIA6TDP1NPC1MAPTRAB9A | |
| SCHEMBL13518445 | 0.79 | NCF1 (0.48) | PDIA6ESR1ESR2TP53TDP1 | |
| SCHEMBL9698564 | 0.79 | NR5A1 (0.61) | PDIA6ESR1ESR2TP53THRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945620-A2 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007056366-A2 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-05-18 | — | — | WO | disclosed |