Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | PDE5A | O76074 | 5/20 | 0.54 |
| ▸ | PDE1A | P54750 | 2/20 | 0.54 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.54 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.54 |
| ▸ | GCK | P35557 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | KDM4B | O94953 | 1/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL91391 | 0.84 | KDM4E (0.69) | PDE5APDE1APDE1BPDE1CKDM4E | |
| SCHEMBL7350718 | 0.83 | GCK (0.72) | GCKGRM5MAPTNPC1RAB9A | |
| SCHEMBL7381389 | 0.83 | GCK (0.51) | PDE5APDE1APDE1BPDE1CGCK | |
| SCHEMBL7380157 | 0.83 | GCK (0.49) | MAPK1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL7372461 | 0.81 | GCK (0.52) | GCKGRM5ALDH1A1MAPTNPC1 | |
| SCHEMBL91387 | 0.78 | MAPT (0.55) | MAPK1PDE5AKDM4EALDH1A1MAPT | |
| SCHEMBL7381091 | 0.77 | HSD17B1 (0.44) | KDM4EALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL7382010 | 0.75 | ALDH1A1 (0.53) | KDM4EALDH1A1TSHRMAPTNPC1 | |
| SCHEMBL16607117 | 0.74 | MAPT (0.73) | PDE5AKDM4EALDH1A1TSHRMAPT | |
| SCHEMBL7349284 | 0.73 | RAB9A (0.70) | KDM4EALDH1A1TSHRMAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |