Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | SHBG | P04278 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30595402 | 1.00 | GLA (0.62) | GLANPSR1SHBGGAACYP3A4 | |
| SCHEMBL30595403 | 1.00 | GLA (0.62) | GLANPSR1SHBGGAACYP3A4 | |
| SCHEMBL30595404 | 1.00 | GLA (0.62) | GLANPSR1SHBGGAACYP3A4 | |
| SCHEMBL3092054 | 0.87 | GLA (0.67) | GLANPSR1CYP3A4MAPK1NPC1 | |
| SCHEMBL9201096 | 0.83 | GLA (0.60) | GLANPSR1CYP3A4MAPK1CYP1A2 | |
| SCHEMBL30020294 | 0.78 | SHBG (0.52) | GLASHBGGAACYP3A4MAPK1 | |
| SCHEMBL20047913 | 0.78 | SHBG (0.52) | GLASHBGGAACYP3A4MAPK1 | |
| SCHEMBL3100458 | 0.77 | NPSR1 (0.56) | GLANPSR1GAACYP1A2CYP2C19 | |
| SCHEMBL15569868 | 0.77 | NPSR1 (1.00) | GLANPSR1ALDH1A1MEN1MAPT | |
| SCHEMBL23388485 | 0.76 | GAA (0.57) | GAAALOX5ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116675668-A | Molecular probe based on vanillin modification and preparation method and application thereof | 井冈山大学 | 2023-09-01 | — | — | CN | disclosed |
| 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 |