Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442856 | 0.87 | CYP3A4 (0.49) | ESR1ESR2CA2TYRHTT | |
| SCHEMBL27645533 | 0.87 | CYP3A4 (0.49) | ESR1ESR2CA2TYRHTT | |
| SCHEMBL13791178 | 0.86 | DYRK1A (0.49) | ESR1ESR2CA2BRD4HSD17B1 | |
| SCHEMBL5239964 | 0.85 | ESR1 (0.53) | ESR1ESR2CA2HSD17B1CYP2A6 | |
| SCHEMBL4445648 | 0.76 | CA2 (0.49) | CA2CYP2A6MEN1CYP3A4MAPT | |
| SCHEMBL6963172 | 0.76 | CYP2A6 (0.60) | CYP2A6 | |
| SCHEMBL7340276 | 0.76 | CYP2A6 (0.60) | CYP2A6 | |
| SCHEMBL3138868 | 0.74 | ESR1 (0.69) | ESR1ESR2CA2HSD17B1MAPT | |
| SCHEMBL12277812 | 0.74 | BRD4 (0.32) | ESR1ESR2BRD4CYP2A6 | |
| SCHEMBL12278236 | 0.74 | BRD4 (0.32) | ESR1ESR2BRD4CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7476691-B2 | Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors | LABORATOIRE THERAMEX (MC) | 2009-01-13 | — | — | US | disclosed |