Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6605879 | 1.00 | IDH1 (0.33) | IDH1HCRTR1HCRTR2CYP3A4KDM4E | |
| SCHEMBL6605662 | 0.85 | JAK1 (0.35) | IDH1HCRTR1HCRTR2CYP3A4KDM4E | |
| SCHEMBL8440718 | 0.84 | IDH1 (0.37) | IDH1KDM4EDPP4 | |
| SCHEMBL6606285 | 0.84 | IDH1 (0.33) | IDH1CYP3A4KDM4EDPP4DPP8 | |
| SCHEMBL6605287 | 0.83 | IDH1 (0.33) | IDH1CYP3A4KDM4EDPP4DPP8 | |
| SCHEMBL6791730 | 0.82 | NR1H2 (0.36) | CYP3A4KDM4E | |
| SCHEMBL6328305 | 0.82 | NR1H2 (0.36) | CYP3A4KDM4E | |
| SCHEMBL6324214 | 0.82 | CYP3A4 (0.34) | CYP3A4KDM4E | |
| SCHEMBL6605366 | 0.81 | CYP3A4 (0.34) | CYP3A4KDM4E | |
| SCHEMBL6608201 | 0.81 | CYP3A4 (0.34) | CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6242462-B1 | NOVEL DECAHYDROISOQUINOLINE DERIVATIVES WHICH ARE SELECTIVE GLUR5 RECEPTOR ANTAGONISTS. | ELI LILLY AND COMPANY | 2001-06-05 | — | — | US | disclosed |