Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.30 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326567 | 0.88 | NR1H2 (0.40) | TSHRCYP3A4KDM4ECHRNB2CHRNB4 | |
| SCHEMBL6327750 | 0.87 | TSHR (0.35) | TSHRCYP3A4KDM4ECHRNB2CHRNB4 | |
| SCHEMBL7164726 | 0.87 | TSHR (0.35) | TSHRCYP3A4KDM4ECHRNB2CHRNB4 | |
| SCHEMBL7162429 | 0.87 | TSHR (0.35) | TSHRCYP3A4KDM4ECHRNB2CHRNB4 | |
| SCHEMBL6484163 | 0.82 | TSHR (0.38) | TSHRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3305726 | 0.81 | ATM (0.41) | TSHRCYP3A4KDM4EATMALDH1A1 | |
| SCHEMBL3303354 | 0.81 | ATM (0.41) | TSHRCYP3A4KDM4EATMALDH1A1 | |
| SCHEMBL6328955 | 0.79 | TSHR (0.35) | TSHRCYP3A4ATM | |
| SCHEMBL6959922 | 0.79 | TSHR (0.42) | LMNATSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7171997 | 0.78 | CXCR4 (0.40) | LMNACYP3A4KDM4EALDH1A1 |
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 |