Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 10/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6065398 | 0.87 | NOX1 (0.36) | MAOAKDM1ASIGMAR1BCHEACHE | |
| SCHEMBL5601814 | 0.81 | ALDH1A1 (0.41) | MAOAKDM1ASIGMAR1BCHEACHE | |
| SCHEMBL5603800 | 0.78 | BCHE (0.37) | MAOAKDM1ABCHE | |
| SCHEMBL5602633 | 0.77 | MAOA (0.41) | MAOAKDM1ABCHEACHENOX1 | |
| SCHEMBL5603133 | 0.76 | BIRC5 (0.35) | MAOAKDM1A | |
| SCHEMBL6064931 | 0.73 | ALDH1A1 (0.38) | KDM1ASIGMAR1BCHEACHENOX1 | |
| SCHEMBL3679500 | 0.71 | CYP1A2 (0.40) | — | |
| SCHEMBL830800 | 0.70 | ALDH1A1 (0.39) | SIGMAR1 | |
| SCHEMBL17074033 | 0.70 | SMN1; SMN2 (0.46) | SIGMAR1 | |
| SCHEMBL831356 | 0.70 | HSP90AA1 (0.39) | — |
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 |