Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.39 |
| ▸ | TYMS | P04818 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4086287 | 0.89 | DHFR (0.40) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4093637 | 0.89 | MAOB (0.48) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4086671 | 0.88 | DHFR (0.39) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4094840 | 0.88 | DHFR (0.39) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4095647 | 0.88 | MEN1 (0.39) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4093475 | 0.85 | NPC1 (0.43) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4093485 | 0.85 | DHFR (0.46) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL13927519 | 0.82 | HSP90AA1 (0.48) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL4093607 | 0.81 | DHFR (0.42) | DHFRLRRK2TYMSEGFRKDR | |
| SCHEMBL15101660 | 0.80 | TSHR (0.42) | — |
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-2036895-B1 | HSP90 INHIBITOR | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |