Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5038967 | 0.97 | GABRA1 (0.48) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5038285 | 0.95 | PTGDR2 (0.51) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4710653 | 0.89 | GABRA1 (0.52) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5034895 | 0.88 | GABRA1 (0.48) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4708303 | 0.88 | TP53 (0.52) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5037251 | 0.85 | GABRA1 (0.46) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5037229 | 0.83 | GABRA1 (0.60) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5034961 | 0.83 | PDE2A (0.68) | PTGDR2PDE2ATP53MAPT | |
| SCHEMBL4707885 | 0.81 | TP53 (0.54) | PTGDR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4711307 | 0.81 | GABRA1 (0.46) | PTGDR2GABRA1GABRG2GABRB3GABRA5 |
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-1697332-A1 | BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF | NEURO3D (FR) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063723-A1 | BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF | NEURO3D (FR) | 2005-07-14 | — | — | WO | disclosed |