Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4182671 | 0.88 | KDR (0.35) | PDE4APDE4BPDE4CPDE4DAURKA | |
| SCHEMBL4182845 | 0.86 | MAPT (0.34) | PDE4DTSHRKDM4EALDH1A1HPGD | |
| SCHEMBL4178311 | 0.84 | PDE10A (0.35) | KDM4EALDH1A1HPGDPOLBGAA | |
| SCHEMBL4183205 | 0.83 | KDM4E (0.33) | KDM4EHPGDPOLBGAA | |
| SCHEMBL4191730 | 0.82 | SLC10A2 (0.33) | PDE4DALDH1A1POLBGAAHTT | |
| SCHEMBL4187144 | 0.76 | ALDH1A1 (0.38) | CYP2C9TSHRCYP2D6KDM4EALDH1A1 | |
| SCHEMBL3627208 | 0.76 | TDO2 (0.51) | TSHRKDM4EALDH1A1HPGDHTT | |
| SCHEMBL4185269 | 0.73 | KDM4E (0.34) | PDE4DKDM4EALDH1A1HPGDHTT | |
| SCHEMBL4178056 | 0.73 | PGK1 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL4189834 | 0.72 | MAPK1 (0.37) | PDE4DTSHRKDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009014730-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |