Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 8/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21370966 | 0.84 | ADK (0.65) | ADKCCNA2CDK2CCNA1ADORA2A | |
| SCHEMBL21369240 | 0.81 | ADK (0.71) | ADKCCNA2CDK2CCNA1 | |
| SCHEMBL21371090 | 0.81 | ADK (0.67) | ADKCCNA2CDK2CCNA1ADORA2A | |
| SCHEMBL23809696 | 0.81 | ADK (0.71) | ADKCCNA2CDK2CCNA1 | |
| SCHEMBL23809776 | 0.79 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL18535222 | 0.75 | ADK (0.64) | ADK | |
| SCHEMBL10160802 | 0.75 | ADK (0.64) | ADK | |
| SCHEMBL21371296 | 0.70 | ADK (0.68) | ADK | |
| SCHEMBL23795176 | 0.69 | MEN1 (0.44) | ADKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21370918 | 0.68 | ADK (0.43) | ADKCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765475-B1 | SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) | 2021-09-15 | — | — | EP | disclosed |