Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8974583 | 0.78 | TSHR (0.39) | ALDH1A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL23922439 | 0.66 | GSK3A (0.41) | ALDH1A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL20246648 | 0.66 | GSK3A (0.41) | ALDH1A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL31668636 | 0.65 | DNTT (0.34) | ALDH1A1POLBMAPT | |
| SCHEMBL19297948 | 0.65 | PDCD4 (0.36) | ALDH1A1NPC1NFKB1NFKB2RELA | |
| SCHEMBL19284482 | 0.65 | PDCD4 (0.36) | ALDH1A1NPC1NFKB1NFKB2RELA | |
| SCHEMBL19297933 | 0.65 | PDCD4 (0.36) | ALDH1A1NPC1NFKB1NFKB2RELA | |
| SCHEMBL6918992 | 0.64 | — | — | |
| SCHEMBL20246837 | 0.63 | XPO1 (0.37) | NFKB1NFKB2RELAGSK3AGSK3B | |
| SCHEMBL11817081 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3333152-A1 | DEOXYDEHYDRATION OF SUGAR DERIVATIVES | The Regents of The University of California Santa Cruz (US) | 2018-06-13 | — | — | EP | disclosed |