Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9643667 | 0.86 | GABRA1 (0.44) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL16707396 | 0.83 | CYP3A4 (0.46) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL10316759 | 0.82 | CYP3A4 (0.48) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL295649 | 0.80 | CYP3A4 (0.50) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL20893283 | 0.78 | CYP3A4 (0.42) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL291584 | 0.78 | CYP3A4 (0.57) | GABRA1GABRB2TDP1CYP3A4TRPA1 | |
| SCHEMBL30390691 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL160980 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL9063336 | 0.74 | CYP3A4 (0.53) | GABRA1GABRB2MAPK1TDP1CYP3A4 | |
| SCHEMBL10316854 | 0.74 | CYP3A4 (0.47) | GABRA1GABRB2MAPK1TDP1CYP3A4 |
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 |