Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870874 | 0.81 | AHR (0.65) | AHRCYP1B1SLC6A3SLC6A2 | |
| SCHEMBL21700368 | 0.81 | AHR (0.48) | AHRCYP1B1SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6075715 | 0.78 | NPC1 (0.39) | SLC6A3 | |
| SCHEMBL6472818 | 0.77 | AHR (0.59) | AHRCYP1B1SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL21700367 | 0.77 | SLC6A3 (0.46) | AHRSLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6075989 | 0.76 | ALOX5 (0.43) | SLC6A3 | |
| SCHEMBL4808905 | 0.75 | AHR (0.56) | AHRCYP1B1SLC6A3SLC6A2 | |
| SCHEMBL6075905 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL27997002 | 0.72 | AHR (0.52) | AHRCYP1B1SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL12473824 | 0.72 | AHR (0.52) | AHRCYP1B1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7045526-B2 | Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-05-16 | — | — | US | disclosed |