Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6902805 | 0.74 | CYP2C19 (0.34) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL21996156 | 0.68 | — | — | |
| SCHEMBL599659 | 0.67 | CYP2C19 (0.62) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL29490353 | 0.67 | CYP2C19 (0.62) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL11328087 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| Hydrogen Sulfide SCHEMBL11348128 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL659517 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL4667060 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL11339937 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL659516 | 0.65 | CYP2C19 (0.60) | ALDH1A1CYP2C19CYP2D6CYP1A2CYP3A4 |
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-1268575-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001081435-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2001-11-01 | — | — | WO | disclosed |