Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 17/20 | 0.79 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27808964 | 0.91 | AOC3 (0.75) | AOC3RORCCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL1433098 | 0.90 | AOC3 (0.77) | AOC3RORCWNT3A | |
| SCHEMBL2069138 | 0.90 | AOC3 (0.74) | AOC3RORCCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL1433261 | 0.89 | AOC3 (1.00) | AOC3 | |
| SCHEMBL27809057 | 0.88 | AOC3 (0.71) | AOC3RORCCYP17A1CYP21A2CYP11B1 | |
| Hydrochloric Acid SCHEMBL1433541 | 0.88 | AOC3 (0.98) | AOC3 | |
| SCHEMBL2068233 | 0.88 | AOC3 (0.79) | AOC3RORCWNT3A | |
| SCHEMBL2070364 | 0.85 | AOC3 (0.70) | AOC3RORCWNT3A | |
| SCHEMBL28790871 | 0.85 | AOC3 (0.72) | AOC3RORCCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL2070456 | 0.84 | AOC3 (0.69) | AOC3RORCCYP17A1CYP21A2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102046601-B | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2014-08-27 | — | — | CN | claimed |
| CN-102046601-B | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2014-08-27 | — | — | CN | disclosed |
| CN-102046601-A | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2011-05-04 | — | — | CN | disclosed |