Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1056033 | 1.00 | XDH (0.52) | XDHERN1KDM4EPTGS2RAB9A | |
| SCHEMBL1922945 | 0.90 | ERN1 (0.52) | XDHERN1KDM4EPTGS2RAB9A | |
| SCHEMBL132439 | 0.85 | XDH (0.59) | XDHKDM4EPTGS2RAB9AALDH1A1 | |
| SCHEMBL27935044 | 0.85 | XDH (0.59) | XDHKDM4EPTGS2RAB9AALDH1A1 | |
| SCHEMBL18002614 | 0.84 | KDM4E (0.46) | XDHERN1KDM4EPTGS2RAB9A | |
| Water SCHEMBL36578 | 0.82 | XDH (0.57) | XDHKDM4EPTGS2RAB9AALDH1A1 | |
| SCHEMBL31122716 | 0.82 | XDH (0.57) | XDHKDM4EPTGS2RAB9AALDH1A1 | |
| SCHEMBL29955970 | 0.82 | ERN1 (0.67) | ERN1 | |
| SCHEMBL12746394 | 0.80 | KDM4E (0.43) | XDHERN1KDM4EPTGS2RAB9A | |
| SCHEMBL24981909 | 0.80 | ERN1 (0.44) | XDHERN1KDM4EPTGS2RAB9A |
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-117693511-A | Penicillin binding protein inhibitors | 维纳拓尔斯制药公司 | 2024-03-12 | — | — | CN | disclosed |