Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28548234 | 0.78 | HCAR2 (0.53) | HCAR3HCAR2CYP1A2DHODHHSD11B1 | |
| Toluene SCHEMBL567896 | 0.73 | LMNA (0.35) | HSD11B1ALDH1A1HTT | |
| SCHEMBL19662548 | 0.73 | GPR35 (0.35) | HSD11B1CHRM2CHRM4CFTRGOPC | |
| SCHEMBL29223835 | 0.71 | HCAR2 (0.47) | HCAR3HCAR2CYP1A2DHODHHSD11B1 | |
| SCHEMBL29161365 | 0.70 | CYP1A2 (0.41) | HCAR3HCAR2CYP1A2DHODHHSD11B1 | |
| SCHEMBL567897 | 0.69 | IDO1 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL566958 | 0.69 | IDO1 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL531260 | 0.69 | LMNA (0.31) | CYP2C9 | |
| SCHEMBL23214499 | 0.68 | HCAR2 (0.45) | HCAR3HCAR2CYP1A2DHODHHSD11B1 | |
| SCHEMBL576540 | 0.67 | BRD4 (0.41) | HCAR3HCAR2CYP1A2HSD11B1CHRM2 |
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-5326887-A | Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-07-05 | — | — | US | disclosed |
| WO-1992015572-A1 | PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-17 | — | — | WO | disclosed |