Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.50 |
| ▸ | HRH2 | P25021 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | QPCT | Q16769 | 1/20 | 0.47 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769379 | 0.87 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3HRH2 | |
| SCHEMBL1769375 | 0.87 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3HRH2 | |
| SCHEMBL28530365 | 0.85 | HRH4 (0.52) | CYP3A4SLC7A5HRH4HRH3HRH2 | |
| SCHEMBL5497653 | 0.83 | CYP3A4 (0.75) | CYP3A4SLC7A5HRH4HRH3LMNA | |
| SCHEMBL18878769 | 0.83 | CYP3A4 (0.75) | CYP3A4SLC7A5HRH4HRH3LMNA | |
| SCHEMBL5717709 | 0.83 | CYP3A4 (0.75) | CYP3A4SLC7A5HRH4HRH3LMNA | |
| Hydrochloric Acid SCHEMBL27719660 | 0.81 | CYP3A4 (0.73) | CYP3A4SLC7A5HRH4HRH3LMNA | |
| SCHEMBL6142710 | 0.79 | HRH3 (0.57) | HRH4HRH3HRH2TSHRLMNA | |
| Histidine SCHEMBL27646598 | 0.78 | CYP3A4 (0.88) | CYP3A4SLC7A5HRH4HRH3TSHR | |
| SCHEMBL17846590 | 0.78 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3170812-A1 | IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME | Fujifilm Corporation (JP) | 2017-05-24 | — | — | EP | disclosed |