Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.71 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 6/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30963844 | 0.98 | CYP2A6 (0.74) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL13035338 | 0.84 | CYP2A6 (1.00) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL6067952 | 0.76 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2958071 | 0.76 | CYP2A6 (1.00) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL3615252 | 0.76 | CYP2A6 (1.00) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL30714232 | 0.75 | — | — | |
| SCHEMBL7424044 | 0.75 | CYP2A6 (0.67) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL7744040 | 0.74 | CYP2A6 (0.65) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL2989441 | 0.71 | CYP2A6 (0.71) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 | |
| SCHEMBL13035333 | 0.71 | CYP2A6 (1.00) | CYP2A6CHEK2CYP2B6CYP3A4CYP2C9 |
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-1999020617-A1 | ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS | ACTIVE BIOTECH AB (SE) | 1999-04-29 | — | — | WO | disclosed |