Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYBB | P04839 | 2/20 | 0.31 |
| ▸ | GPR3 | P46089 | 2/20 | 0.31 |
| ▸ | NOX5 | Q96PH1 | 2/20 | 0.31 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.31 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL9015822 | 0.59 | MEN1 (0.47) | TP53CYP2D6CYBBGPR3NOX5 | |
| SCHEMBL198461 | 0.56 | CSNK2A2 (0.52) | TP53CYP2D6NPC1ALDH1A1MAPK1 | |
| SCHEMBL3920125 | 0.56 | TP53 (0.43) | TP53CYP2D6MEN1NPC1ALDH1A1 | |
| SCHEMBL1618358 | 0.55 | MAOA (0.42) | NOS2TP53CYP2D6CYBBGPR3 | |
| Ethane SCHEMBL3687850 | 0.55 | CSNK2A2 (0.50) | TP53CYP2D6NPC1ALDH1A1MAPK1 | |
| SCHEMBL11382359 | 0.55 | CSNK2A2 (0.50) | TP53CYP2D6NPC1ALDH1A1MAPK1 | |
| SCHEMBL2776956 | 0.55 | CSNK2A2 (0.50) | TP53CYP2D6MEN1NPC1ALDH1A1 | |
| Ethylbenzene SCHEMBL3663827 | 0.55 | TP53 (0.82) | TP53NPC1ALDH1A1CYP1A2TSHR | |
| SCHEMBL11879510 | 0.53 | ACVR1 (0.52) | NOX1MEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL181764 | 0.53 | LRRK2 (0.59) | NOX1MEN1NPC1ALDH1A1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | claimed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | claimed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |