Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23585490 | 0.84 | ADRA1A (0.44) | DPP4ADRA1ACYP2A6METAP2SGMS2 | |
| Ethylene SCHEMBL27739074 | 0.80 | DPP4 (0.54) | DPP4ADRA1ACYP2A6METAP2SGMS2 | |
| SCHEMBL29666761 | 0.79 | DPP4 (0.45) | DPP4PTPRCCTSLCTSSPTPN13 | |
| SCHEMBL4160810 | 0.79 | CYP2A6 (0.52) | ADRA1ACYP2A6METAP2PTPRCCTSL | |
| SCHEMBL1207550 | 0.77 | DPP4 (0.57) | DPP4ADRA1ACYP2A6METAP2PTPRC | |
| SCHEMBL24352875 | 0.76 | ADRA2C (0.48) | DPP4ADRA1ACYP2A6METAP2SGMS2 | |
| O-Xylene SCHEMBL28789820 | 0.75 | CASP3 (0.41) | DPP4KMT2ANOS3NOS1NOS2 | |
| SCHEMBL16047084 | 0.74 | DPP4 (0.73) | DPP4PTPRCCTSLCTSSPTPN13 | |
| SCHEMBL3423330 | 0.74 | CYP2A6 (0.50) | ADRA1ACYP2A6METAP2PTPRCCTSL | |
| SCHEMBL9118970 | 0.73 | TDP1 (0.47) | KMT2AMEN1TDP1KCNA5L3MBTL1 |
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 |