Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 4/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8889100 | 0.87 | PTGIR (0.49) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8887697 | 0.87 | CYP1A2 (0.47) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8889588 | 0.86 | CYP1A2 (0.49) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8890203 | 0.84 | CYP1A2 (0.47) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8888651 | 0.84 | CYP1A2 (0.55) | CYP1A2SMN1; SMN2PDE5APDE3AMEN1 | |
| SCHEMBL8887601 | 0.81 | LMNA (0.48) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8887102 | 0.79 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL8889716 | 0.78 | PDE4A (0.52) | CYP1A2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5807524 | 0.76 | CYP1A2 (0.51) | CYP1A2SMN1; SMN2PDE5APDE3AMEN1 | |
| Bromide SCHEMBL5806494 | 0.72 | CYP1A2 (0.50) | CYP1A2PDE4APDE4BPDE4CPDE4D |
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 |