Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9248538 | 0.84 | ESR1 (0.48) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL25596207 | 0.79 | ESR1 (0.59) | SLC6A2TAAR1ESR1ESR2HTR2A | |
| SCHEMBL8955025 | 0.78 | ALDH1A1 (0.63) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL8358088 | 0.77 | SLC6A2 (0.46) | SLC6A2TAAR1ESR1CA1CA2 | |
| SCHEMBL674118 | 0.77 | ESR1 (0.50) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL28071127 | 0.77 | SLC6A2 (0.62) | SLC6A2TAAR1ESR1HTR2ASLC6A4 | |
| SCHEMBL3678396 | 0.76 | ALDH1A1 (0.66) | SLC6A2TAAR1CA1CA2CYP1A2 | |
| SCHEMBL5511404 | 0.76 | SLC6A2 (0.52) | SLC6A2TAAR1ESR1ESR2HTR2A | |
| SCHEMBL563683 | 0.75 | SLC6A2 (0.54) | SLC6A2TAAR1CA2HTR2ASLC6A4 | |
| SCHEMBL8955160 | 0.75 | CYP1A2 (0.66) | ESR1ESR2CA1CA2PTGS1 |
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-1998022480-A1 | PHOSPHORUS CONTAINING ARYLOXY OR ARYLTHIO PROPANOLAMINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-05-28 | — | — | WO | disclosed |