Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 2/20 | 0.31 |
| ▸ | HTR3A | P46098 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | STK17B | O94768 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220170 | 0.81 | EPHX2 (0.40) | KCNA5EPHX2MAPTHTR3AESR1 | |
| SCHEMBL14978017 | 0.77 | KCNA5 (0.36) | KCNA5EPHX2CCR2KCNH2MAPT | |
| SCHEMBL7376409 | 0.75 | MAPT (0.43) | MAPTACHEESR1ESR2 | |
| SCHEMBL7374829 | 0.72 | GRM4 (0.40) | MAPTESR1ESR2 | |
| SCHEMBL7378228 | 0.71 | EPAS1 (0.33) | PGK1ACHEMAP4K4STK17B | |
| SCHEMBL11443727 | 0.71 | PGK1 (0.42) | KCNA5PGK1KDM4EESR1ESR2 | |
| SCHEMBL7376738 | 0.71 | HTT (0.35) | MAPTKDM4E | |
| SCHEMBL14748184 | 0.71 | HTR3A (0.47) | KCNA5EPHX2HTR3AKDM4EMAP4K4 | |
| SCHEMBL7214975 | 0.68 | IDO1 (0.36) | MAP4K4ESR1ESR2 | |
| SCHEMBL7379181 | 0.68 | CYP1A2 (0.35) | MAPTESR1ESR2 |
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 |