Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24428779 | 0.98 | HRH3 (0.50) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL15510682 | 0.96 | HRH3 (0.53) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL21348114 | 0.96 | HRH3 (0.49) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL19006951 | 0.92 | HRH3 (0.50) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL3304849 | 0.91 | KDM4E (0.50) | HRH3KDM4EHTTALDH1A1LTA4H | |
| SCHEMBL27553412 | 0.90 | HRH3 (0.54) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL24757676 | 0.89 | LTA4H (0.51) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL3302920 | 0.89 | KDM4E (0.49) | HRH3KDM4EHTTALDH1A1LTA4H | |
| SCHEMBL10924938 | 0.89 | HRH3 (0.44) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL3306837 | 0.89 | KDM4E (0.47) | HRH3KDM4EHTTALDH1A1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |