Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4337043 | 0.84 | HTR7 (0.50) | — | |
| SCHEMBL4321625 | 0.81 | SIGMAR1 (0.46) | — | |
| SCHEMBL4323521 | 0.79 | AOC3 (0.54) | AOC3CHRNB2CHRNA4 | |
| SCHEMBL4338420 | 0.78 | HTR2C (0.44) | AOC3 | |
| SCHEMBL4331027 | 0.78 | HRH4 (0.41) | AOC3 | |
| SCHEMBL4323528 | 0.78 | TAAR1 (0.58) | — | |
| SCHEMBL4318002 | 0.76 | NTRK1 (0.47) | AOC3 | |
| SCHEMBL4321540 | 0.75 | AOC3 (0.53) | AOC3 | |
| SCHEMBL4327893 | 0.74 | NTRK1 (0.39) | AOC3 | |
| SCHEMBL4320156 | 0.72 | SLC6A4 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | claimed |
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |