Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9174497 | 1.00 | AHR (0.54) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL19977161 | 1.00 | AHR (0.54) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL25081281 | 0.92 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL21422585 | 0.92 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL30258139 | 0.92 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL30257398 | 0.92 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL25081953 | 0.90 | AHR (0.47) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL30257816 | 0.90 | AHR (0.47) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL25081282 | 0.87 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 | |
| SCHEMBL25081971 | 0.87 | AHR (0.48) | AHRCYP2A6KDM4EPARP1CYP1A2 |
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-3227269-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |