Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL7907760 | 0.94 | ABCB1 (0.34) | ABCB1CNR1CNR2ESR1ESR2 | |
| SCHEMBL2578934 | 0.89 | ABCB1 (0.33) | ABCB1CNR1CNR2ESR1ESR2 | |
| SCHEMBL12160480 | 0.88 | ABCB1 (0.31) | ABCB1 | |
| SCHEMBL2584574 | 0.86 | ABCB1 (0.32) | ABCB1CNR1CNR2 | |
| SCHEMBL12160478 | 0.85 | ESR1 (0.38) | ABCB1CNR1CNR2ESR1ESR2 | |
| SCHEMBL7910534 | 0.84 | — | — | |
| SCHEMBL7912511 | 0.83 | RAB9A (0.41) | ABCB1CNR1CNR2ESR1ESR2 | |
| SCHEMBL2587899 | 0.83 | ABCB1 (0.30) | ABCB1 | |
| SCHEMBL12160475 | 0.83 | BCHE (0.39) | ESR1ESR2 | |
| SCHEMBL2586348 | 0.81 | ESR1 (0.37) | ABCB1CNR1CNR2ESR1ESR2 |
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-2010064735-A1 | QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-06-10 | — | — | WO | disclosed |