Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL22909374 | 0.91 | TAAR1 (0.39) | SIGMAR1AOC3TAAR1CA12CA1 | |
| SCHEMBL22909469 | 0.83 | ALDH1A1 (0.37) | AOC3TAAR1CHRM1DRD1HTR2A | |
| SCHEMBL22909268 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL22909233 | 0.76 | GFER (0.42) | SIGMAR1AOC3TAAR1 | |
| SCHEMBL22909164 | 0.73 | CA12 (0.49) | SLC6A4CA12CA1CA2CA7 | |
| SCHEMBL22909452 | 0.72 | CYP2A6 (0.38) | KCNH2 | |
| SCHEMBL22909632 | 0.69 | CA12 (0.43) | AOC3TAAR1HTR1AADRA2ASLC6A2 | |
| SCHEMBL22909384 | 0.67 | TYMP (0.33) | — | |
| SCHEMBL54347 | 0.65 | HTR2A (0.70) | SIGMAR1TAAR1ADRA1ASLC6A3HTR2A | |
| SCHEMBL27851255 | 0.65 | SIGMAR1 (0.46) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009568-A1 | BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF | 2692372 ONTARIO, INC. (CA) | 2021-01-21 | — | — | WO | disclosed |