Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 14/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | BRD2 | P25440 | 2/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.35 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.35 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21277147 | 0.83 | PRKDC (0.42) | PRKDCALOX5ALDH1A1KDM4EBRD4 | |
| SCHEMBL31286356 | 0.78 | ALOX5 (0.47) | PRKDCALOX5ALDH1A1KDM4EBRD4 | |
| SCHEMBL17252607 | 0.78 | ALOX5 (0.47) | PRKDCALOX5ALDH1A1KDM4EBRD4 | |
| SCHEMBL26444601 | 0.74 | ALOX5 (0.49) | PRKDCALOX5ALDH1A1KDM4EBRD4 | |
| SCHEMBL24090432 | 0.73 | ALOX5 (0.51) | PRKDCALOX5ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL18698089 | 0.72 | ALOX5 (0.65) | PRKDCALOX5SMN1; SMN2PIK3CDPIK3CB | |
| SCHEMBL29892450 | 0.72 | ALOX5 (0.65) | PRKDCALOX5SMN1; SMN2PIK3CDPIK3CB | |
| SCHEMBL24090444 | 0.72 | ALOX5 (0.50) | PRKDCALOX5ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL24602154 | 0.72 | AHR (0.49) | PRKDCALOX5PIM1CSNK2A2CSNK2B | |
| SCHEMBL22309183 | 0.72 | ALOX5 (0.57) | PRKDCALOX5ALDH1A1KDM4ESMN1; SMN2 |
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-3596066-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-05-18 | — | — | EP | disclosed |