Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416425 | 0.84 | PNP (0.47) | PNPADORA2BADORA2AHPGDKDM4E | |
| SCHEMBL8422905 | 0.80 | KMT2A (0.42) | ADORA2BADORA2AALDH1A1HPGDKDM4E | |
| SCHEMBL7417864 | 0.77 | HCAR1 (0.42) | ADORA2AALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL7604058 | 0.69 | PNP (0.51) | PNPADORA2BADORA2AADORA3SMN1; SMN2 | |
| SCHEMBL28043741 | 0.68 | KMT2A (0.50) | ALDH1A1GLAKDM4ESMN1; SMN2LMNA | |
| SCHEMBL7423402 | 0.67 | KMT2A (0.46) | PNPALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL4962855 | 0.66 | PNP (1.00) | PNPADORA2BADORA2AADORA1ADORA3 | |
| Hydrochloric Acid SCHEMBL17186372 | 0.65 | PNP (0.97) | PNPADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL7421517 | 0.65 | PNP (0.46) | PNPADORA3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10867790 | 0.65 | LMNA (0.48) | PNPLMNATSHR |
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 | claimed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | claimed |