Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3063738 | 0.89 | AR (0.45) | ARCYP11B1CYP11B2EGLN2KDM4E | |
| SCHEMBL3073239 | 0.84 | AR (0.41) | ARCYP11B1CYP11B2CNR1BRD4 | |
| SCHEMBL13309136 | 0.83 | L3MBTL1 (0.45) | ARCYP11B1CYP11B2EGLN2CNR1 | |
| SCHEMBL13308504 | 0.79 | GRIN1 (0.36) | ARCYP11B1CYP11B2EGLN2CNR1 | |
| SCHEMBL13308386 | 0.78 | AKR1B1 (0.37) | AREGLN2CNR1S1PR1BRD4 | |
| SCHEMBL13308976 | 0.77 | CNR1 (0.34) | ARCYP11B1CYP11B2EGLN2CNR1 | |
| SCHEMBL13308619 | 0.76 | POLB (0.45) | AREGLN2KDM4ENPSR1 | |
| SCHEMBL13308563 | 0.76 | EGLN2 (0.39) | ARCYP11B1CYP11B2EGLN2KDM4E | |
| SCHEMBL13309138 | 0.75 | AR (0.38) | ARCYP11B1CYP11B2EGLN2CNR1 | |
| SCHEMBL13309040 | 0.75 | EGLN2 (0.38) | ARCYP11B1CYP11B2EGLN2CNR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2194045-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2010-06-09 | — | — | EP | disclosed |