Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | TRPV3 | Q8NET8 | 4/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9156900 | 0.96 | RARB (0.40) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9159015 | 0.95 | RARB (0.41) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9156876 | 0.95 | RARB (0.41) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9155905 | 0.92 | PIK3CA (0.41) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9766728 | 0.88 | TRPV3 (0.40) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9156007 | 0.86 | KCNH2 (0.44) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9156404 | 0.80 | PDPK1 (0.48) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL9158809 | 0.77 | CYP2D6 (0.55) | PTGS1PTGS2GRM5 | |
| SCHEMBL9154037 | 0.77 | CYP2D6 (0.55) | PTGS1PTGS2GRM5 | |
| SCHEMBL9154312 | 0.76 | MAPT (0.49) | PDPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| EP-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |