Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601804 | 0.81 | TRPA1 (0.38) | TRPA1BACE1TSHRMAOADRD2 | |
| SCHEMBL24828 | 0.76 | TRPA1 (0.54) | TRPA1BACE1BCHEACHEMAOA | |
| SCHEMBL5600121 | 0.74 | DRD2 (0.38) | TRPA1BACE1DRD2CYP2A6CYP3A4 | |
| SCHEMBL5602865 | 0.74 | HTR2A (0.36) | TRPA1BACE1BCHEACHECYP1A2 | |
| SCHEMBL5602867 | 0.72 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL5602226 | 0.70 | TRPA1 (0.35) | TRPA1BACE1SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL9821093 | 0.70 | TRPA1 (0.35) | TRPA1BACE1 | |
| SCHEMBL3869329 | 0.69 | TRPA1 (0.40) | TRPA1BACE1BCHEMAOAMEN1 | |
| O-Xylene SCHEMBL28671014 | 0.69 | ACHE (0.62) | BCHEACHETSHRMAOAMEN1 | |
| SCHEMBL5603753 | 0.67 | TRPA1 (0.35) | TRPA1BACE1DRD2 |
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 4 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 | 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 |