Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12925905 | 0.90 | CRHBP (0.47) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL20663065 | 0.84 | PTGS1 (0.58) | CRHBPCRHR2PTGS1ALDH1A1HPRT1 | |
| SCHEMBL9348512 | 0.83 | ALDH1A1 (0.46) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL28220857 | 0.83 | MAOB (0.49) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL20912008 | 0.80 | ALDH1A1 (0.43) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL5547337 | 0.78 | PTGS1 (0.53) | PTGS1ALDH1A1HPRT1SQORPTPN1 | |
| SCHEMBL24729296 | 0.75 | PTGS1 (0.50) | PTGS1ALDH1A1HPRT1SQORPTPN1 | |
| SCHEMBL16933964 | 0.75 | ALDH1A1 (0.46) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL18518062 | 0.75 | CRHBP (0.52) | CRHBPCRHR2PTGS1ALDH1A1MAPK1 | |
| SCHEMBL21345872 | 0.75 | CRHBP (0.76) | CRHBPCRHR2ALDH1A1MAPK1AKR1C4 |
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-3335254-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-04-08 | — | — | EP | disclosed |