Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTC4S | Q16873 | 4/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 4/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | FAP | Q12884 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 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 | |
|---|---|---|---|---|
| SCHEMBL7169997 | 0.89 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL7161639 | 0.88 | PGR (0.35) | ACE | |
| SCHEMBL7163823 | 0.87 | PGR (0.40) | DPP4FAP | |
| SCHEMBL7141654 | 0.83 | LTC4S (0.37) | LTC4S | |
| SCHEMBL7166478 | 0.83 | AGTR2 (0.37) | ACE | |
| SCHEMBL7170300 | 0.83 | TAS2R14 (0.35) | LTC4S | |
| SCHEMBL7162414 | 0.81 | DPP4 (0.41) | DPP4HTTP2RX7GRM2GRM3 | |
| SCHEMBL7170644 | 0.75 | DPP4 (0.31) | LTC4SDPP4PREPFAP | |
| SCHEMBL7170826 | 0.71 | CXCR4 (0.40) | ACEP2RX7 | |
| SCHEMBL7168153 | 0.70 | GRIN2B (0.46) | — |
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-2003082856-A1 | ISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |