Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL124543 | 0.84 | MAOA (0.44) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL172154 | 0.77 | HCRTR2 (0.36) | MAOAMAOBHCRTR2ALDH1A1POLB | |
| SCHEMBL172209 | 0.74 | HTR6 (0.41) | HCRTR2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL4697009 | 0.72 | DRD2 (0.50) | POLBDRD2DRD3 | |
| SCHEMBL11630733 | 0.71 | MAOA (0.58) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL6516653 | 0.70 | MAOA (0.56) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL6522521 | 0.68 | MAOA (0.55) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL6519934 | 0.68 | MAOA (0.55) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL6522515 | 0.68 | MAOA (0.55) | MAOAMAOBALDH1A1KDM4EMAPT | |
| SCHEMBL7395479 | 0.68 | MMP12 (0.43) | MAOAMAOBALDH1A1KDM4EMAPT |
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-2234985-B1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF | Bayer Pharma AG (DE) | 2012-03-07 | — | — | EP | disclosed |