Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 1-Methylimidazole SCHEMBL5015200 | 0.90 | TBXA2R (0.33) | CYP3A4CYP2D6TBXA2RHTTMEN1 | |
| 1-Methylimidazole SCHEMBL16280485 | 0.83 | TBXAS1 (0.41) | CYP3A4CYP2D6TBXA2RHTTMAPK1 | |
| 1-Methylimidazole SCHEMBL28235806 | 0.78 | ABCB1 (0.41) | CYP3A4CYP2D6TBXA2RHTTMEN1 | |
| 1-Methylimidazole SCHEMBL4620121 | 0.77 | TBXAS1 (0.38) | CYP3A4CYP2D6TBXA2RHTTMAPK1 | |
| 1-Methylimidazole SCHEMBL5491564 | 0.72 | TBXAS1 (0.44) | CYP3A4CYP2D6TBXA2RHTTMAPK1 | |
| 1-Methylimidazole SCHEMBL38665424 | 0.72 | TBXAS1 (0.44) | CYP3A4CYP2D6TBXA2RHTTMAPK1 | |
| Amylosulfuric Acid SCHEMBL5482271 | 0.71 | NFKB1 (0.44) | CYP3A4CYP2D6TBXA2RHTTMAPK1 | |
| 1-Methylimidazole SCHEMBL15778945 | 0.68 | QPCT (0.47) | CYP3A4CYP2D6HTTMAPK1SMN1; SMN2 | |
| 1-Methylimidazole SCHEMBL9061829 | 0.68 | NFKB1 (0.47) | HTTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| Pyridine SCHEMBL1487597 | 0.68 | CA1 (0.43) | MAPK1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008009815-A2 | METHOD FOR PREPARING AROMATIC SULFONATES | INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) | 2008-01-24 | — | — | WO | disclosed |