Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23585267 | 0.84 | DPP4 (0.45) | ADRA1ACYP2A6PTPRCCTSLCTSS | |
| SCHEMBL19937570 | 0.83 | CYP2A6 (0.47) | CYP2A6KMT2ATDP2NSD2ABL1 | |
| Ethylene SCHEMBL27739074 | 0.81 | DPP4 (0.54) | ADRA1ACYP2A6PTPRCCTSLCTSS | |
| SCHEMBL30021329 | 0.81 | PTGS2 (0.53) | PTPRCCTSLCTSSPTPN13DPP4 | |
| SCHEMBL4160810 | 0.81 | CYP2A6 (0.52) | ADRA1ACYP2A6PTPRCCTSLCTSS | |
| SCHEMBL19116413 | 0.80 | CYP2A6 (0.43) | ADRA1ACYP2A6ABL1TDP1GAA | |
| SCHEMBL30302740 | 0.79 | PTGS2 (0.51) | PTPRCCTSLCTSSPTPN13DPP4 | |
| SCHEMBL22931645 | 0.78 | VHL (0.44) | PTPRCCTSLCTSSPTPN13ADORA2A | |
| SCHEMBL24352875 | 0.78 | ADRA2C (0.48) | ADRA1ACYP2A6PTPRCCTSLCTSS | |
| SCHEMBL7644327 | 0.76 | TDP1 (0.44) | PTPRCCTSLCTSSPTPN13DPP4 |
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-3227018-B1 | CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS | UNIV VIRGINIA COMMONWEALTH (US) | 2021-06-30 | — | — | EP | disclosed |