Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL7604058 | 0.84 | PNP (0.51) | MAPTGAASMN1; SMN2PNPNPSR1 | |
| SCHEMBL7421927 | 0.84 | CCNE2 (0.46) | MAPTGAASMN1; SMN2PNPNPSR1 | |
| SCHEMBL7422077 | 0.83 | PNP (0.49) | MAPTGAASMN1; SMN2PNPNPSR1 | |
| SCHEMBL7421517 | 0.77 | PNP (0.46) | MAPTGAASMN1; SMN2PNPNPSR1 | |
| SCHEMBL7416425 | 0.74 | PNP (0.47) | MAPTGAASMN1; SMN2PNPNPSR1 | |
| SCHEMBL7420637 | 0.71 | PGR (0.43) | MAPTGAARECQLSMN1; SMN2PNP | |
| SCHEMBL9432250 | 0.71 | NPSR1 (0.49) | RIPK1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL5249967 | 0.70 | PDE4A (0.57) | MAPTMEN1KMT2APDE4APDE4B | |
| SCHEMBL10889569 | 0.69 | PDE4A (0.57) | MAPTGAAMEN1KMT2APDE4A | |
| SCHEMBL6801649 | 0.69 | PDE4A (0.51) | MAPTGAANPSR1MEN1KMT2A |
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-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | disclosed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |