Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.37 |
| ▸ | COMT | P21964 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4126131 | 0.94 | HTT (0.37) | HTTPTGDR2PKMALDH1A1NAMPT | |
| SCHEMBL4120239 | 0.91 | HTR6 (0.40) | PTGDR2ALDH1A1NAMPT | |
| SCHEMBL476471 | 0.88 | NAMPT (0.35) | HTTALDH1A1NAMPT | |
| SCHEMBL18258908 | 0.87 | NAMPT (0.35) | HTTALDH1A1NAMPT | |
| SCHEMBL476366 | 0.85 | NAMPT (0.38) | ALDH1A1NAMPT | |
| SCHEMBL4125767 | 0.85 | NFE2L2 (0.39) | PTGDR2CA1CA2CA4CA7 | |
| SCHEMBL476288 | 0.84 | COMT (0.41) | COMTPKMCA1CA2KDM4E | |
| SCHEMBL4135836 | 0.82 | HTT (0.37) | HTTPTGDR2PKMALDH1A1NAMPT | |
| SCHEMBL476388 | 0.82 | PKM (0.38) | PTGDR2COMTPKMKDM4E | |
| SCHEMBL4125917 | 0.81 | HTR2A (0.36) | HTTPTGDR2CA1CA2CA4 |
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-2412713-B1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-30 | — | — | EP | disclosed |
| EP-2412713-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2012-02-01 | — | — | EP | disclosed |