Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8218357 | 1.00 | AKT1 (0.50) | AKT1MAPTNPC1RAB9ALMNA | |
| SCHEMBL8211286 | 0.96 | AKT1 (0.48) | AKT1MAPTNPC1RAB9ALMNA | |
| SCHEMBL8211287 | 0.96 | AKT1 (0.48) | AKT1MAPTNPC1RAB9ALMNA | |
| SCHEMBL8216223 | 0.91 | NPC1 (0.50) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8216220 | 0.91 | NPC1 (0.50) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8211777 | 0.88 | NPC1 (0.54) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8211779 | 0.88 | NPC1 (0.54) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8216297 | 0.87 | NPC1 (0.48) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8216300 | 0.87 | NPC1 (0.48) | MAPTNPC1RAB9ALMNABCHE | |
| SCHEMBL8220496 | 0.87 | NPC1 (0.52) | MAPTNPC1RAB9ALMNABCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6046218-A | 4,5-DIMETHOXY-2-(3-OXO-3-PHENYL-1-PROPENYL)PYRIDINE USED TO CURE THE DISEASES PRODUCED BY CYTOKINE | SS PHARMACEUTICAL CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0838457-A1 | NOVEL PYRIDINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS ACTIVE INGREDIENT | SS Pharmaceutical Co., Ltd. (JP) | 1998-04-29 | — | — | EP | disclosed |