Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL188661 | 0.88 | NCF1 (0.41) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL5722525 | 0.78 | NCF1 (0.58) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL3595550 | 0.74 | DRD2 (0.55) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL3589193 | 0.74 | DRD2 (0.44) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL27372168 | 0.74 | HTR1A (0.43) | NCF1HTR1AKDM4EMAPTALDH1A1 | |
| SCHEMBL4113163 | 0.74 | DRD2 (0.51) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL188362 | 0.74 | ADRA2C (0.42) | NCF1DRD2DRD3DRD4HTR2A | |
| SCHEMBL27770383 | 0.74 | DRD2 (0.43) | NCF1DRD2DRD3HTR2AHTR1A | |
| SCHEMBL1813597 | 0.73 | CHRNA7 (0.40) | DRD2DRD3DRD4KDM4EMAPT | |
| SCHEMBL188609 | 0.73 | MAPT (0.56) | NCF1ADRA2CKDM4EMAPTHTT |
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-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |