Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13961615 | 0.77 | CYP2D6 (0.43) | HRH3CYP2D6CYP1A2KMT2AMEN1 | |
| SCHEMBL20633400 | 0.73 | CYP2D6 (0.40) | HRH3CYP2D6CYP1A2KMT2AMEN1 | |
| SCHEMBL8330912 | 0.72 | HRH3 (0.34) | HRH3 | |
| SCHEMBL10998880 | 0.71 | FDPS (0.44) | HRH3CYP2D6CYP1A2KMT2AMEN1 | |
| SCHEMBL81766 | 0.69 | — | — | |
| SCHEMBL9822975 | 0.69 | FDPS (0.41) | HRH3CYP2D6CYP1A2KMT2AMEN1 | |
| SCHEMBL85855 | 0.69 | — | — | |
| SCHEMBL239626 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7021993 | 0.67 | KMT2A (0.41) | HRH3CYP2D6CYP1A2KMT2AMEN1 | |
| SCHEMBL1219807 | 0.67 | — | — |
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-2012031090-A2 | SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-03-08 | — | — | WO | disclosed |