Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 5/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208739 | 0.82 | PNP (0.40) | PNPCYP11B1CYP11B2CYP2E1CYP3A4 | |
| SCHEMBL3300188 | 0.81 | PNP (0.40) | PNPADORA3ADORA2BPDE4APDE4B | |
| SCHEMBL4963422 | 0.81 | PNP (0.40) | PNPADORA3ADORA2BPDE4APDE4B | |
| SCHEMBL9434524 | 0.81 | PNP (0.40) | PNPADORA3ADORA2BPDE4APDE4B | |
| SCHEMBL18250 | 0.81 | PNP (0.66) | PNPADORA3ADORA2BPDE4APDE4B | |
| SCHEMBL1980960 | 0.80 | PNP (0.64) | PNPADORA3ADORA2BPDE4APDE4B | |
| SCHEMBL4962859 | 0.79 | PDE4A (0.53) | PNPADORA3ADORA2BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL18605981 | 0.78 | PDE4A (0.53) | PNPADORA3ADORA2BCYP3A4CYP2C19 | |
| SCHEMBL1938290 | 0.76 | KMT2A (0.49) | PNPADORA3ADORA2BCYP3A4CYP2C9 | |
| SCHEMBL9434882 | 0.76 | PIN1 (0.52) | PNPADORA3ADORA2BCYP2C19PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| US-6096724-A | O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-08-01 | — | — | US | disclosed |