Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL23350471 | 1.00 | CYP3A4 (0.33) | CYP3A4CYP2D6CA12CA9 | |
| SCHEMBL29659210 | 0.81 | CYP3A4 (0.36) | CYP3A4CYP2D6CA12CA9 | |
| SCHEMBL2914677 | 0.81 | CYP3A4 (0.36) | CYP3A4CYP2D6CA12CA9 | |
| SCHEMBL5083964 | 0.78 | MAPT (0.33) | CYP3A4CYP2D6 | |
| SCHEMBL9255038 | 0.78 | CYP2D6 (0.43) | CYP3A4CYP2D6CA12CA9 | |
| SCHEMBL4889490 | 0.78 | CYP3A4 (0.34) | CYP3A4CYP2D6CA12CA9 | |
| SCHEMBL14445350 | 0.78 | — | — | |
| SCHEMBL4761592 | 0.77 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| SCHEMBL4898538 | 0.77 | — | — | |
| SCHEMBL30250913 | 0.76 | CYP3A4 (0.32) | CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019038605-A1 | NOVEL TRANSITION METAL COMPOUND, CATALYST COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND α-OLEFIN USING THE SAME | SABIC SK NEXLENE COMPANY PTE. LTD. (SG) | 2019-02-28 | — | — | WO | disclosed |