Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.66 |
| ▸ | BRD4 | O60885 | 9/20 | 0.60 |
| ▸ | BRD2 | P25440 | 2/20 | 0.57 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.57 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL555712 | 0.88 | BRD4 (0.71) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL7607643 | 0.87 | PDE4A (0.74) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL12687220 | 0.86 | KDM4E (0.56) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL3104007 | 0.81 | MEN1 (0.75) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL3902928 | 0.80 | PDE4A (1.00) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL1713302 | 0.80 | MEN1 (0.70) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL556875 | 0.80 | BRD4 (0.65) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL21381257 | 0.79 | PDE4A (1.00) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL9842832 | 0.79 | BRD4 (0.50) | ADORA2ABRD4BRD2BRD3BRDT | |
| SCHEMBL557088 | 0.79 | MEN1 (0.68) | PDE4AADORA2APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5001065-A | — | — | None | — | — | JP | disclosed |
| JP-3167186-A | — | — | None | — | — | JP | disclosed |
| JP-H051065-A | XANTHINE DERIVATIVE | HOKURIKU SEIYAKU CO LTD | 1993-01-08 | — | — | JP | disclosed |
| JP-H03167186-A | XANTHINE DERIVATIVE AND USE THEREOF | HOKURIKU SEIYAKU CO LTD | 1991-07-19 | — | — | JP | disclosed |