Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | HMOX1 | P09601 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL10785246 | 0.91 | CYP11B1 (0.36) | CYP11B1CYP11B2 | |
| SCHEMBL11045416 | 0.87 | CYP11B1 (0.43) | CYP11B1CYP11B2TBXAS1CYP2B6HMOX1 | |
| SCHEMBL10785039 | 0.86 | TBXAS1 (0.41) | CYP11B1CYP11B2TBXAS1CYP2B6HMOX1 | |
| SCHEMBL10782792 | 0.86 | CYP11B1 (0.40) | CYP11B1CYP11B2TBXAS1CYP2B6HMOX1 | |
| SCHEMBL10782903 | 0.86 | TBXAS1 (0.40) | CYP11B1CYP11B2TBXAS1 | |
| SCHEMBL10785527 | 0.86 | CYP11B1 (0.40) | CYP11B1CYP11B2TBXAS1CYP2B6HMOX1 | |
| SCHEMBL10780585 | 0.85 | TBXAS1 (0.43) | CYP11B1CYP11B2TBXAS1HMOX1 | |
| SCHEMBL10784933 | 0.84 | TBXAS1 (0.46) | CYP11B1CYP11B2TBXAS1HMOX1 | |
| SCHEMBL10782806 | 0.84 | TBXAS1 (0.46) | CYP11B1CYP11B2TBXAS1HMOX1 | |
| SCHEMBL10782453 | 0.84 | TBXAS1 (0.46) | CYP11B1CYP11B2TBXAS1HMOX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0111384-B1 | THIOKETAL SUBSTITUTED N-ALKYL IMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SYNTEX (U.S.A.) INC. (US) | 1987-04-22 | — | — | EP | disclosed |
| US-4489087-A | Spermicidal thioketal substituted N-alkyl imidazoles | SYNTEX (U.S.A.) INC. (US) | 1984-12-18 | — | — | US | disclosed |
| EP-0111384-A1 | Thioketal substituted N-alkyl imidazoles and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1984-06-20 | — | — | EP | disclosed |