Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8165320 | 0.77 | BRD4 (0.38) | CYP2C19ALDH1A1PNPLMNAMEN1 | |
| SCHEMBL6359923 | 0.76 | PNP (0.43) | ADORA3PKMCYP3A4PDE5APDE4A | |
| SCHEMBL2780222 | 0.74 | MEN1 (0.37) | PKMHSD17B10PDE5APDE4APDE4B | |
| SCHEMBL4144591 | 0.73 | HPRT1 (0.50) | PNP | |
| SCHEMBL8076818 | 0.70 | PNP (0.55) | ADORA3ADORA2AADORA1HSD17B10CYP3A4 | |
| SCHEMBL28852897 | 0.67 | HSP90AA1 (0.40) | HSD17B10ALDH1A1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL2946378 | 0.65 | CYP3A4 (0.61) | ADORA3ADORA2AADORA1PKMCYP3A4 | |
| SCHEMBL4584939 | 0.65 | CYP3A4 (0.61) | ADORA3ADORA2AADORA1PKMCYP3A4 | |
| SCHEMBL9278710 | 0.65 | HPRT1 (0.54) | PNPMEN1KMT2A | |
| SCHEMBL20343752 | 0.64 | ADORA2A (0.39) | ADORA3ADORA2AADORA1LMNAMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017394-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999002162-A9 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RES CAMPAIGN TECH (GB) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999002162-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-01-21 | — | — | WO | disclosed |