Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.50 |
| ▸ | TTK | P33981 | 2/20 | 0.46 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.41 |
| ▸ | ICMT | O60725 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL17049306 | 0.82 | BRD4 (0.50) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL28058890 | 0.82 | GRM7 (0.56) | LRRK2BRD4BRD3GRM7ICMT | |
| SCHEMBL26545148 | 0.81 | BRD4 (0.47) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL24497540 | 0.79 | KDM5A (0.52) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL15652106 | 0.79 | ALDH1A1 (0.59) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL31051265 | 0.78 | BRD4 (0.47) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL27398722 | 0.78 | BRD4 (0.47) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL16911970 | 0.76 | BRD4 (0.51) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL26544695 | 0.75 | BRD4 (0.46) | LRRK2BRD4BRD3TTKGRM7 | |
| SCHEMBL28234703 | 0.75 | KDM4E (0.47) | BRD4BRD3GRM7ICMTCYP1A2 |
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-3110816-B1 | N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS | CANCER RESEARCH TECH LTD (GB) | 2019-06-19 | — | — | EP | disclosed |