Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18024040 | 0.98 | HRH3 (0.50) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL18024004 | 0.96 | HRH3 (0.50) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL18024010 | 0.94 | HRH3 (0.53) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL22416508 | 0.92 | HRH3 (0.48) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL22266163 | 0.90 | HRH3 (0.52) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL22266158 | 0.88 | HRH3 (0.48) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL12371264 | 0.87 | HRH3 (0.50) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL1469605 | 0.86 | TSHR (0.48) | HRH3HRH1CHRM2ADRA2CKCNH2 | |
| SCHEMBL7346055 | 0.86 | HRH3 (0.55) | HRH3SLC6A2HRH1CHRM2ADRA2C | |
| SCHEMBL27370585 | 0.85 | ALDH1A1 (0.41) | HRH3HTR7SIGMAR1SMN1; SMN2KDM4E |
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-2016130968-A1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | YALE UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |