Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL20923262 | 0.96 | CYP2C19 (0.37) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL20923795 | 0.95 | PTGER4 (0.40) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL20923633 | 0.92 | XDH (0.36) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL20923582 | 0.92 | CYP11B1 (0.41) | CYP11B2CYP11B1XDHCYP2C19PDE3B | |
| SCHEMBL20924046 | 0.91 | PIK3CA (0.41) | AAK1CHEK1GSK3BMKNK1BMP2K | |
| SCHEMBL20923811 | 0.91 | CHEK1 (0.40) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL19908990 | 0.91 | MAPK14 (0.39) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL20923763 | 0.91 | PTGER4 (0.38) | CYP11B2CYP11B1AAK1CHEK1GSK3B | |
| SCHEMBL20923681 | 0.89 | CHEK1 (0.37) | CYP11B2CYP11B1CHEK1GSK3BXDH | |
| SCHEMBL20923267 | 0.88 | PDE3B (0.36) | CYP11B2CYP11B1AAK1CHEK1GSK3B |
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-3266772-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |