Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7171997 | 0.90 | CXCR4 (0.40) | CXCR4ALDH1A1 | |
| SCHEMBL7168130 | 0.88 | KMT2A (0.38) | CXCR4NPC1ALDH1A1 | |
| SCHEMBL7165958 | 0.84 | AGTR2 (0.41) | — | |
| SCHEMBL7170826 | 0.83 | CXCR4 (0.40) | CXCR4GRIN2B | |
| SCHEMBL7162414 | 0.80 | DPP4 (0.41) | ALDH1A1CFD | |
| SCHEMBL7141654 | 0.80 | LTC4S (0.37) | GRM5ALDH1A1BRD4 | |
| SCHEMBL7168153 | 0.80 | GRIN2B (0.46) | CXCR4GRIN2BALDH1A1BCHEBRD4 | |
| SCHEMBL6484834 | 0.75 | TACR1 (0.41) | GRIN2BALDH1A1BCHE | |
| SCHEMBL6326567 | 0.74 | NR1H2 (0.40) | ALDH1A1 | |
| SCHEMBL7162429 | 0.73 | TSHR (0.35) | ALDH1A1 |
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 |