Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26516698 | 1.00 | KCNH2 (0.39) | KCNH2PTGS2PTGS1HPGDHTT | |
| SCHEMBL26123559 | 0.84 | IDO1 (0.48) | PTGS2PTGS1IDO1 | |
| SCHEMBL26516702 | 0.81 | CNR2 (0.38) | KCNH2PRKDCCCR6 | |
| SCHEMBL26072738 | 0.74 | KCNH2 (0.34) | KCNH2PTGS2DRD2HTR2AHTR2C | |
| SCHEMBL26122661 | 0.72 | PIK3C3 (0.38) | PTGS2PTGS1CCR6 | |
| SCHEMBL30360603 | 0.72 | TLR9 (0.31) | KCNH2GPR119DRD2 | |
| SCHEMBL26119405 | 0.69 | PTGS2 (0.43) | KCNH2PTGS2PTGS1HSD17B10IDO1 | |
| SCHEMBL26523822 | 0.66 | PTGS2 (0.43) | PTGS2HTTGPR119PRKDC | |
| SCHEMBL30360598 | 0.65 | MAP4K1 (0.48) | — | |
| SCHEMBL26121332 | 0.65 | MAP4K1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4200015-A1 | SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 | Bristol-Myers Squibb Company (US) | 2023-06-28 | — | — | EP | disclosed |