Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19955395 | 0.80 | CLK1 (0.47) | CYP11B1CYP11B2SLC22A12GPBAR1MEN1 | |
| SCHEMBL19955386 | 0.79 | PDE10A (0.45) | ALDH1A1HPGDPDE10AATRNCOA3 | |
| SCHEMBL2650416 | 0.79 | ESR2 (0.48) | CYP11B1CYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL2651669 | 0.78 | CYP11B1 (0.41) | CYP11B1CYP11B2NCOA3HTTSLC22A12 | |
| SCHEMBL2659160 | 0.78 | CYP11B2 (0.41) | CYP11B1CYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL2651505 | 0.78 | CYP11B2 (0.41) | CYP11B1CYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL9069185 | 0.77 | ESR2 (0.47) | CYP11B1CYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL7215513 | 0.77 | ATR (0.50) | CYP11B1CYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL31083321 | 0.76 | SLC22A12 (0.51) | ALDH1A1HPGDKDM4EPDE10ASLC22A12 | |
| SCHEMBL29391830 | 0.75 | — | — |
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-2980085-B1 | PYRAZOLE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-03-14 | — | — | EP | disclosed |