Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30416457 | 0.88 | CA2 (0.50) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4440695 | 0.88 | CA2 (0.44) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5243924 | 0.86 | CA2 (0.51) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5553145 | 0.85 | CA2 (0.48) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5553012 | 0.85 | CA2 (0.48) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL534427 | 0.81 | CYP2A6 (0.53) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13632630 | 0.79 | CA2 (0.48) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5557274 | 0.78 | CA2 (0.51) | CA2CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL5557265 | 0.78 | CA2 (0.51) | CA2BACE1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13632619 | 0.77 | CA2 (0.41) | CA2BACE1CYP1A2CYP3A4CYP2C19 |
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 |