Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL417479 | 0.84 | — | — | |
| SCHEMBL4974 | 0.79 | — | — | |
| SCHEMBL28508474 | 0.76 | POLB (0.50) | POLBHCAR2CYP2A6KDM4EHTT | |
| Bromide SCHEMBL1938528 | 0.71 | — | — | |
| SCHEMBL21586125 | 0.68 | — | — | |
| SCHEMBL8865773 | 0.68 | — | — | |
| SCHEMBL8249901 | 0.68 | — | — | |
| SCHEMBL14392676 | 0.66 | CYP2A6 (0.61) | POLBHCAR2CYP2A6KDM4EHTT | |
| Formic Acid SCHEMBL31186859 | 0.65 | POLB (0.52) | POLBHCAR2CYP2A6KDM4EEGFR | |
| SCHEMBL16914162 | 0.64 | ENPP2 (0.37) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106632027-A | Metal organic frame based on pyridine oxide ligand, and preparation method and application thereof | 山东师范大学 | 2017-05-10 | — | — | CN | claimed |