Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2700899 | 1.00 | MAPK1 (0.48) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL1430201 | 0.77 | KCNN4 (0.50) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL462758 | 0.77 | KCNN4 (0.50) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL3034923 | 0.76 | MAPK1 (0.44) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL7899276 | 0.75 | KCNN4 (0.48) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL3685988 | 0.75 | TAAR1 (0.45) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL10918770 | 0.74 | KIF11 (0.40) | ALDH1A1CYP3A4 | |
| SCHEMBL3844071 | 0.74 | MAPK1 (0.52) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL664301 | 0.74 | MAPK1 (0.52) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 | |
| SCHEMBL42639 | 0.74 | MAPK1 (0.67) | MAPK1KCNN4TAAR1ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1638505-B1 | AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF | JACKSON H M FOUND MILITARY MED (US) | 2012-04-25 | — | — | EP | disclosed |
| WO-2005002519-A2 | AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF | HENRY M.JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) | 2005-01-13 | — | — | WO | disclosed |