Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 9/20 | 0.36 |
| ▸ | ACHE | P22303 | 9/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7161639 | 0.89 | PGR (0.35) | CYP2D6 | |
| SCHEMBL7170649 | 0.89 | LTC4S (0.37) | — | |
| SCHEMBL7163823 | 0.88 | PGR (0.40) | SLC6A2SLC6A4CYP2D6 | |
| SCHEMBL7166478 | 0.84 | AGTR2 (0.37) | — | |
| SCHEMBL7170300 | 0.84 | TAS2R14 (0.35) | SMN1; SMN2ALDH1A1TAS2R14 | |
| SCHEMBL7141654 | 0.83 | LTC4S (0.37) | BRD4CYP2D6ALDH1A1TAS2R14 | |
| SCHEMBL7168153 | 0.80 | GRIN2B (0.46) | SMN1; SMN2GRIN2BBCHEACHEBRD4 | |
| SCHEMBL7170826 | 0.72 | CXCR4 (0.40) | GRIN2BCYP2D6 | |
| SCHEMBL7171997 | 0.71 | CXCR4 (0.40) | ALDH1A1 | |
| SCHEMBL6327750 | 0.71 | TSHR (0.35) | TSHRALDH1A1 |
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 |