Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | DHPS | P49366 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL23586239 | 0.93 | NR1I3 (0.39) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL15658923 | 0.82 | PDE4D (0.42) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL23586145 | 0.78 | NR1I3 (0.38) | NR1I3CHRNB4CHRNA3HRH4DHPS | |
| SCHEMBL15659115 | 0.78 | PDE4B (0.42) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL23586143 | 0.75 | NR1I3 (0.37) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL15947979 | 0.75 | PDE4D (0.44) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL15662341 | 0.70 | CYP19A1 (0.40) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL16682880 | 0.70 | IDH1 (0.40) | NR1I3CHRNB4CHRNA3HRH4HTT | |
| SCHEMBL15662301 | 0.69 | CHRNB4 (0.37) | NR1I3PDE4BPDE4DCHRNB4CHRNA3 | |
| SCHEMBL23586141 | 0.67 | PDE4B (0.55) | PDE4BPDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3842420-B1 | HETEROARYL INHIBITORS OF PDE4 | TETRA DISCOVERY PARTNERS LLC (US) | 2022-12-07 | — | — | EP | disclosed |
| EP-3842420-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners LLC (US) | 2021-06-30 | — | — | EP | disclosed |