Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL5602000 | 0.88 | CYP2A6 (0.31) | CYP2A6 | |
| SCHEMBL5599775 | 0.78 | NOTUM (0.36) | KDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL5602509 | 0.77 | KDM4E (0.33) | KDM4EALDH1A1SMN1; SMN2CYP2A6ACHE | |
| SCHEMBL5602757 | 0.77 | KDM4E (0.33) | KDM4EALDH1A1SMN1; SMN2CYP2A6ACHE | |
| SCHEMBL5602875 | 0.77 | NOTUM (0.40) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL5602751 | 0.77 | CYP2A6 (0.38) | KDM4EALDH1A1SMN1; SMN2CYP2A6ACHE | |
| SCHEMBL5603615 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5602500 | 0.75 | CYP2A6 (0.37) | KDM4EALDH1A1SMN1; SMN2CYP2A6ACHE | |
| SCHEMBL5601605 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5603530 | 0.75 | CYP2A6 (0.37) | KDM4EALDH1A1SMN1; SMN2CYP2A6ACHE |
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 2 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 |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |