Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4450287 | 1.00 | ACHE (0.43) | ACHECA2ADORA2AMAOAMAOB | |
| SCHEMBL13632619 | 0.86 | CA2 (0.41) | CA2MAOAMAOBCYP1A2CYP2E1 | |
| SCHEMBL4446056 | 0.78 | MAOB (0.44) | ACHECA2MAOAMAOB | |
| SCHEMBL4443767 | 0.78 | MAOB (0.44) | ACHECA2MAOAMAOB | |
| SCHEMBL4442733 | 0.77 | CA2 (0.47) | CA2MAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL4442755 | 0.77 | CA2 (0.47) | CA2MAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL8601229 | 0.77 | CA2 (0.47) | CA2MAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL4442739 | 0.77 | CA2 (0.47) | CA2MAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL4438841 | 0.77 | CA2 (0.47) | CA2MAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL8361617 | 0.76 | MAOA (0.53) | MAOAMAOBCYP1A2CYP2E1CYP3A4 |
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 |