Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2972878 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL216254 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL216547 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL218347 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL215259 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL215849 | 1.00 | GPR3 (0.37) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL216506 | 0.99 | NPC1 (0.35) | GPR3CYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL215716 | 0.94 | NPC1 (0.36) | CYP2D6ALDH1A1CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL219159 | 0.88 | NPC1 (0.38) | CYP2D6ALDH1A1CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL218357 | 0.82 | ALDH1A1 (0.37) | CYP2D6ALDH1A1CYP1A2CYP2C19SLC6A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3022233-A1 | CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS | ExxonMobil Chemical Patents Inc. (US) | 2016-05-25 | — | — | EP | disclosed |
| WO-2015009473-A1 | CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-01-22 | — | — | WO | disclosed |
| EP-1963347-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| EP-1960442-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| EP-1866322-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2007070046-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2007070041-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2006065844-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |