Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | FEN1 | P39748 | 3/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9156736 | 0.94 | PDE3B (0.42) | PDE3BPDE3ACYP2A6CYP2B6CYP3A4 | |
| SCHEMBL9162226 | 0.88 | NPC1 (0.45) | PDE3BPDE3ACYP2A6CYP2B6CYP3A4 | |
| SCHEMBL9155798 | 0.85 | RARB (0.49) | PDE3BPDE3ACYP2A6CYP2B6CYP3A4 | |
| SCHEMBL9766599 | 0.85 | RARB (0.50) | PDE3BPDE3ARARB | |
| SCHEMBL9152755 | 0.84 | RARB (0.54) | PDE3BPDE3ACYP2A6CYP2B6CYP3A4 | |
| SCHEMBL9155782 | 0.83 | RARB (0.56) | CYP3A4RARB | |
| SCHEMBL9160685 | 0.83 | RARB (0.56) | CYP3A4RARB | |
| SCHEMBL9154043 | 0.82 | NPC1 (0.43) | PDE3BPDE3ACYP2A6CYP2B6CYP3A4 | |
| SCHEMBL10981111 | 0.81 | CHKA (0.45) | CYP2A6RARB | |
| SCHEMBL8774259 | 0.81 | FEN1 (0.40) | PDE3BPDE3AGRIN1GRIN2BFEN1 |
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 2 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 |