Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL363176 | 0.81 | GPBAR1 (0.39) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL364467 | 0.81 | GPBAR1 (0.39) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL363016 | 0.81 | GPBAR1 (0.39) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL15949059 | 0.80 | GPBAR1 (0.37) | GPBAR1 | |
| SCHEMBL1389857 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL1390246 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL1389860 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL1390245 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL1389930 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 | |
| SCHEMBL1389932 | 0.79 | GPBAR1 (0.40) | GPBAR1CHRNA7CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593426-B1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN LA ROCHE (CH) | 2014-08-20 | — | — | EP | disclosed |