Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | APP | P05067 | 1/20 | 0.70 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.70 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.70 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 2/20 | 0.57 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Nicotinic Acid Hydrazide SCHEMBL29648965 | 0.88 | HDAC1 (0.69) | GAAALDH1A1APPHCAR3HCAR2 | |
| Nicotinic Acid Hydrazide SCHEMBL258390 | 0.88 | HDAC1 (0.69) | GAAALDH1A1APPHCAR3HCAR2 | |
| Nicotinic Acid Hydrazide SCHEMBL28127107 | 0.86 | HDAC1 (0.62) | GAAALDH1A1APPHCAR3HCAR2 | |
| Nicotinic Acid Hydrazide SCHEMBL31491467 | 0.86 | HDAC1 (0.67) | GAAALDH1A1APPHCAR3HCAR2 | |
| Nicotinic Acid Hydrazide SCHEMBL28747918 | 0.86 | HDAC1 (0.67) | GAAALDH1A1APPHCAR3HCAR2 | |
| Benzoic Acid Hydrazide SCHEMBL5720780 | 0.84 | KDM4E (0.70) | GAAALDH1A1PLOD2NAMPTKCNK3 | |
| Benzoic Acid SCHEMBL1008425 | 0.84 | ALDH1A1 (0.91) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL20482455 | 0.84 | ALDH1A1 (0.91) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL1640446 | 0.84 | ALDH1A1 (0.91) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL1433 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153922-B1 | HETERODIAZINONE DERIVATIVES | EISAI CO LTD (JP) | 2006-04-26 | — | — | EP | disclosed |
| US-6825192-B1 | NON-N-METHYL-D-ASPARTATE (NON- NMDA) EXCITATORY AMINO ACID RECEPTOR ANTAGONISTIC ACTION, FOR EXAMPLE 2-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONIC ACID (AMPA) RECEPTOR ANTAGONISTIC ACTION | EISAI CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |
| EP-1153922-A1 | HETERODIAZINONE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-11-14 | — | — | EP | disclosed |