Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278972 | 0.84 | MDH1 (0.44) | SHBGHIF1AMDH1MDH2CA2 | |
| SCHEMBL29987613 | 0.80 | CYP3A4 (0.50) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL1110466 | 0.80 | CYP3A4 (0.50) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL7773029 | 0.78 | CYP3A4 (0.49) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL7773033 | 0.78 | CYP3A4 (0.49) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL317178 | 0.76 | SHBG (0.50) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL10590354 | 0.76 | MDH1 (0.45) | SHBGMAPTMAPK1TDP1MDH1 | |
| SCHEMBL2529706 | 0.75 | SHBG (0.41) | SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2 | |
| SCHEMBL3230026 | 0.75 | NPC1 (0.41) | SMN1; SMN2MEN1MAPTMAPK1KMT2A | |
| SCHEMBL3524715 | 0.72 | ALDH1A1 (0.57) | SMN1; SMN2TP53CASP1AKR1C2AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0594257-B1 | 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof | STERLING WINTHROP INC (US) | 1996-07-10 | — | — | EP | disclosed |