Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | TPH1 | P17752 | 2/20 | 0.48 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.48 |
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.46 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL7603126 | 0.85 | BRD4 (0.58) | BRD4OPRM1TPH1TPH2BRD2 | |
| SCHEMBL12687220 | 0.83 | KDM4E (0.56) | BRD4BRD2BRD3BRDTHPGD | |
| SCHEMBL555712 | 0.80 | BRD4 (0.71) | BRD4BRD2BRD3BRDTHPGD | |
| SCHEMBL9504546 | 0.79 | PDE4A (0.66) | BRD4BRD2BRD3BRDTHPGD | |
| SCHEMBL9842744 | 0.79 | PDE5A (0.50) | KDM4EMAPTCYP11B2TP53ADORA2A | |
| SCHEMBL9842568 | 0.79 | PDE4A (0.59) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL7464187 | 0.77 | PDE4A (0.65) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL9842833 | 0.75 | ALDH1A1 (0.67) | BRD4BRD2BRD3BRDTHPGD | |
| SCHEMBL9615238 | 0.75 | SMN1; SMN2 (0.44) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL9842911 | 0.74 | MEN1 (0.62) | BRD4BRD2BRD3BRDTKDM4E |
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-0430025-A2 | Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |