Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6899998 | 0.79 | CALM1 (0.31) | — | |
| SCHEMBL5405255 | 0.75 | MAPT (0.32) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL7008689 | 0.74 | ALDH1A1 (0.37) | CYP2C19CYP1A2CYP2D6CYP3A4MTNR1A | |
| Hydrochloric Acid SCHEMBL5854698 | 0.68 | — | — | |
| SCHEMBL1048785 | 0.67 | KDM4E (0.32) | ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL5188330 | 0.64 | — | — | |
| SCHEMBL5399225 | 0.64 | ALOX15 (0.32) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL29490353 | 0.63 | CYP2C19 (0.62) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL599659 | 0.63 | CYP2C19 (0.62) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL8355992 | 0.62 | — | — |
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-1268575-B1 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2004-06-09 | — | — | EP | disclosed |