Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL5600270 | 0.80 | HSD11B1 (0.32) | CYP1A2CYP2D6TRPA1NOTUMHSD11B1 | |
| SCHEMBL5600573 | 0.74 | HSD11B1 (0.41) | CYP1A2NOTUMHSD11B1SCN9APSMB8 | |
| SCHEMBL4429635 | 0.74 | TRPA1 (0.50) | CYP1A2CYP2D6TRPA1AXLKIF11 | |
| SCHEMBL5600275 | 0.73 | TRPA1 (0.32) | CYP1A2CYP2D6TRPA1 | |
| SCHEMBL5601908 | 0.72 | CYP1A2 (0.40) | CYP1A2CYP2D6TRPA1 | |
| SCHEMBL5603137 | 0.71 | GABRA1 (0.36) | CYP1A2CYP2D6TRPA1ALDH1A1 | |
| SCHEMBL25520 | 0.71 | TRPA1 (0.52) | CYP1A2CYP2D6TRPA1ALDH1A1 | |
| SCHEMBL5603129 | 0.69 | CYP1A2 (0.42) | CYP1A2CYP2D6TRPA1ALDH1A1 | |
| SCHEMBL4752463 | 0.68 | AXL (0.34) | AXLKIF11HSD11B1ALDH1A1POLB | |
| SCHEMBL5601488 | 0.68 | MAOA (0.45) | CYP1A2CYP2D6TRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |