Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28036653 | 0.88 | P2RX7 (0.35) | SLC6A3P2RX7CTSA | |
| SCHEMBL28036225 | 0.88 | P2RX7 (0.35) | SLC6A3P2RX7CTSA | |
| SCHEMBL28036665 | 0.85 | SLC6A4 (0.34) | SLC6A3P2RX7 | |
| SCHEMBL27743650 | 0.85 | SLC6A3 (0.43) | SLC6A3P2RX7 | |
| SCHEMBL28453043 | 0.81 | SLC6A3 (0.33) | SLC6A3 | |
| SCHEMBL28036227 | 0.79 | SLC6A3 (0.34) | SLC6A3 | |
| SCHEMBL28036656 | 0.78 | SLC6A3 (0.36) | SLC6A3P2RX7CTSACYP19A1 | |
| SCHEMBL28036228 | 0.78 | P2RX7 (0.31) | P2RX7 | |
| SCHEMBL27743460 | 0.77 | SLC6A3 (0.33) | SLC6A3P2RX7 | |
| SCHEMBL27741460 | 0.77 | LY96 (0.34) | SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017242-A | Novel biphenyl heterocyclic derivative, preparation method and use thereof as drug | UNIV CHINA PHARMA | 2015-11-04 | — | — | CN | disclosed |