Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8665106 | 0.77 | ALDH1A1 (0.42) | BACE1BACE2CYP2C9ALDH1A1BLM | |
| Phenytoin SCHEMBL29415216 | 0.76 | CYP2C9 (0.49) | BACE1BACE2CYP2C9ALDH1A1BLM | |
| SCHEMBL11836878 | 0.74 | CYP2C9 (0.50) | BACE1BACE2CYP2C9ALDH1A1BLM | |
| SCHEMBL325055 | 0.73 | CYP2C9 (0.46) | BACE1BACE2CYP2C9ALDH1A1BLM | |
| SCHEMBL10849988 | 0.73 | ALDH1A1 (0.42) | CYP2C9ALDH1A1BLMPMP22CACNA1F | |
| SCHEMBL17471508 | 0.73 | ALDH1A1 (0.42) | CYP2C9ALDH1A1BLMPMP22CACNA1F | |
| SCHEMBL2615275 | 0.73 | AKR1B1 (0.43) | CYP2C9ALDH1A1BLMPMP22CACNA1F | |
| SCHEMBL2615278 | 0.73 | AKR1B1 (0.43) | CYP2C9ALDH1A1BLMPMP22CACNA1F | |
| SCHEMBL4782380 | 0.71 | CYP2C9 (0.47) | BACE1BACE2CYP2C9ALDH1A1BLM | |
| SCHEMBL11925189 | 0.69 | GAA (0.48) | CYP2C9ALDH1A1BLMPMP22CACNA1F |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025517-A | 4-Oxo-2-hexahydropyrimidinylidene ureas | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-05-24 | — | — | US | disclosed |
| US-3983135-A | 4-Oxo-2-imidazolidinylidene ureas | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-09-28 | — | — | US | disclosed |