Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | PTGIR | P43119 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8889113 | 0.87 | CYP1A2 (0.50) | CYP1A2PDE3APDE5APTGIRPDE4B | |
| SCHEMBL8889588 | 0.83 | CYP1A2 (0.49) | CYP1A2PDE3APDE5APTGIRPDE4B | |
| SCHEMBL8889100 | 0.82 | PTGIR (0.49) | CYP1A2PDE3APDE5APTGIRPDE4B | |
| SCHEMBL8890203 | 0.81 | CYP1A2 (0.47) | CYP1A2PDE3APDE5APTGIRPDE4B | |
| SCHEMBL8888651 | 0.81 | CYP1A2 (0.55) | CYP1A2PDE3APDE5AMEN1KMT2A | |
| SCHEMBL8888600 | 0.80 | KDM4E (0.41) | PTGIRPDE4BPDE4APDE4CPDE4D | |
| SCHEMBL8887601 | 0.78 | LMNA (0.48) | CYP1A2PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL8889716 | 0.75 | PDE4A (0.52) | CYP1A2PDE3APDE5APDE4BPDE4A | |
| SCHEMBL5807524 | 0.73 | CYP1A2 (0.51) | CYP1A2PDE3APDE5AMEN1KMT2A | |
| Bromide SCHEMBL5812361 | 0.73 | CYP1A2 (0.48) | CYP1A2PDE3APDE5AMEN1KMT2A |
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-1997001551-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-16 | — | — | WO | disclosed |