Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 16/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1432548 | 0.90 | AOC3 (1.00) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL4467602 | 0.89 | AOC3 (0.79) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL1431948 | 0.88 | AOC3 (0.73) | AOC3KDM4EALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL1433497 | 0.88 | AOC3 (0.78) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL2068534 | 0.86 | AOC3 (0.78) | AOC3KDM4EALDH1A1GAAMAPT | |
| Tert-Butyl Formate SCHEMBL27809038 | 0.83 | AOC3 (0.84) | AOC3 | |
| SCHEMBL16606221 | 0.83 | AOC3 (0.78) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL1432878 | 0.82 | AOC3 (0.74) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL1432804 | 0.81 | AOC3 (0.76) | AOC3KDM4EALDH1A1GAAMAPT | |
| SCHEMBL1432620 | 0.81 | AOC3 (0.73) | AOC3KDM4EALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2300430-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-Tech Ueno, Ltd. (JP) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |