Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9967692 | 0.80 | KIF11 (0.36) | KIF11PTGDR2P2RY6GRM5KDM4E | |
| SCHEMBL14998069 | 0.77 | KIF11 (0.56) | KIF11P2RY6ALDH1A1EGLN1 | |
| SCHEMBL16747679 | 0.77 | KIF11 (0.56) | KIF11P2RY6ALDH1A1EGLN1 | |
| SCHEMBL10300065 | 0.75 | KIF11 (0.47) | KIF11PTGDR2GRM5ALDH1A1 | |
| SCHEMBL14997641 | 0.75 | KIF11 (0.47) | KIF11PTGDR2GRM5ALDH1A1 | |
| SCHEMBL10300108 | 0.75 | KIF11 (0.47) | KIF11PTGDR2GRM5ALDH1A1 | |
| SCHEMBL22779132 | 0.72 | CYP2A6 (0.41) | EGFRTDP1KDM4EALDH1A1LMNA | |
| SCHEMBL20651264 | 0.70 | TSHR (0.48) | MAOAMAOBKIF11HTR1AHTR7 | |
| SCHEMBL3827578 | 0.69 | KIF11 (0.48) | MAOBKIF11ALDH1A1 | |
| SCHEMBL2830955 | 0.69 | ALDH1A1 (0.59) | KIF11GRM5ALDH1A1PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |