Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 15/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 8/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | MCOLN1 | Q9GZU1 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5363537 | 0.89 | TSHR (0.51) | ESR1SIGMAR1SLC6A9SLC6A5 | |
| SCHEMBL5363541 | 0.89 | TSHR (0.51) | ESR1SIGMAR1SLC6A9SLC6A5 | |
| SCHEMBL6151070 | 0.79 | HTR2A (0.43) | ESR1NR1H3SLC6A9SLC6A5MCOLN2 | |
| SCHEMBL7147151 | 0.72 | HTR2A (0.58) | ESR1SIGMAR1OPRM1 | |
| SCHEMBL10740876 | 0.70 | SMN1; SMN2 (0.57) | SLC6A9OPRM1SLC6A5 | |
| SCHEMBL14028056 | 0.70 | ESR1 (0.58) | ESR1NR1H3 | |
| Hydrochloric Acid SCHEMBL9785714 | 0.70 | ESR1 (0.58) | ESR1NR1H3KCNH2 | |
| SCHEMBL28758536 | 0.70 | SLC6A2 (0.46) | SLC6A9OPRM1SLC6A5KCNH2OPRL1 | |
| SCHEMBL28758537 | 0.70 | SLC6A2 (0.46) | SLC6A9OPRM1SLC6A5KCNH2OPRL1 | |
| SCHEMBL13119224 | 0.70 | HPGD (0.53) | SLC6A9OPRM1SLC6A5KCNH2OPRL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1594840-A1 | PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004072034-A1 | PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-26 | — | — | WO | disclosed |