Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18673197 | 0.76 | AOC3 (0.39) | AOC3ALDH1A1 | |
| SCHEMBL2068968 | 0.75 | AOC3 (0.68) | AOC3ALDH1A1 | |
| SCHEMBL12919390 | 0.72 | SMN1; SMN2 (0.37) | ALDH1A1 | |
| SCHEMBL11751461 | 0.64 | CYP19A1 (0.42) | AHRALDH1A1 | |
| SCHEMBL26135553 | 0.62 | DAO (0.46) | ALDH1A1 | |
| SCHEMBL11711715 | 0.61 | TBXAS1 (0.34) | — | |
| SCHEMBL7505467 | 0.60 | MAPT (0.35) | ALDH1A1HPGD | |
| SCHEMBL5950635 | 0.59 | MEN1 (0.64) | ALDH1A1HPGD | |
| SCHEMBL11540137 | 0.58 | AHR (0.51) | AHR | |
| SCHEMBL11538268 | 0.58 | AHR (0.43) | AHR |
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-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |