Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2572909 | 0.92 | HTT (0.37) | HTTIDO1TDO2ALDH1A1CYP2C19 | |
| SCHEMBL15260564 | 0.89 | CYSLTR2 (0.44) | HTTALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL6684143 | 0.88 | HTT (0.41) | HTTIDO1TDO2ALDH1A1CYP2C19 | |
| SCHEMBL23169058 | 0.84 | CYSLTR2 (0.47) | HTTALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL22358954 | 0.84 | CYSLTR2 (0.47) | HTTALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL27566456 | 0.84 | HTT (0.33) | HTTIDO1TDO2ALDH1A1CYP2C19 | |
| SCHEMBL254417 | 0.82 | HTT (0.41) | HTTIDO1TDO2ALDH1A1CYP2C19 | |
| SCHEMBL28608306 | 0.81 | TRPA1 (0.42) | HTTIDO1TDO2TSHRAOC3 | |
| SCHEMBL23730871 | 0.81 | HTT (0.41) | HTTIDO1TDO2ALDH1A1CYP2C19 | |
| SCHEMBL18242250 | 0.81 | HTT (0.41) | HTTIDO1TDO2ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110627831-A | Bibiaryl acetal phosphines, their preparation and use in coupling reactions | 东莞市均成高新材料有限公司 | 2019-12-31 | — | — | CN | disclosed |