Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3092054 | 0.85 | GLA (0.67) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL9196946 | 0.79 | GLA (0.51) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL30595402 | 0.74 | GLA (0.62) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL30595403 | 0.74 | GLA (0.62) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL9192513 | 0.74 | GLA (0.62) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL30595404 | 0.74 | GLA (0.62) | NPSR1GLACYP3A4NPC1RAB9A | |
| SCHEMBL16174891 | 0.73 | GLA (0.45) | NPSR1GLANPC1RAB9AALDH1A1 | |
| SCHEMBL9201096 | 0.72 | GLA (0.60) | NPSR1GLACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL30019852 | 0.71 | MAPT (0.60) | GLACYP3A4CYP1A2MAPK1ALDH1A1 | |
| SCHEMBL9197929 | 0.70 | ALDH1A1 (0.48) | GLACYP3A4NPC1RAB9ACYP1A2 |
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-0578849-B1 | Process for the preparation of 1,3-dioxane-4,6-dione derivates | BIOGAL GYOGYSZERGYAR (HU) | 1995-05-17 | — | — | EP | disclosed |
| EP-0578849-A1 | Process for the preparation of 1,3-dioxane-4,6-dione derivates | BIOGAL GYOGYSZERGYAR (HU) | 1994-01-19 | — | — | EP | disclosed |