Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.37 |
| ▸ | P2RX2 | Q9UBL9 | 4/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30065933 | 0.80 | NPC1 (0.50) | HCAR2DHFRPIK3CA | |
| SCHEMBL3663141 | 0.80 | NPC1 (0.50) | HCAR2DHFRPIK3CA | |
| SCHEMBL29528815 | 0.78 | DHFR (0.39) | DHFRP2RX3P2RX2PIK3CA | |
| SCHEMBL4458826 | 0.78 | HCAR2 (0.46) | HCAR2TP53MAPTDHFRPOLB | |
| SCHEMBL4608258 | 0.76 | DHFR (0.46) | DHFRP2RX3P2RX2 | |
| SCHEMBL4457723 | 0.72 | HCAR2 (0.43) | HCAR2MAPTDHFRPIK3CA | |
| Maleic Acid SCHEMBL28774616 | 0.70 | DHFR (0.35) | DHFRP2RX3P2RX2 | |
| SCHEMBL27976878 | 0.70 | MKNK1 (0.35) | HCAR2MAPTDHFRPIK3CA | |
| SCHEMBL28664537 | 0.70 | MKNK1 (0.40) | HCAR2MAPTDHFRPIK3CA | |
| SCHEMBL28814166 | 0.69 | PIK3CA (0.37) | DHFRPIK3CA |
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-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |