Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.68 |
| ▸ | ALDH1A2 | O94788 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.66 |
| ▸ | NPC1 | O15118 | 7/20 | 0.66 |
| ▸ | RAB9A | P51151 | 7/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.66 |
| ▸ | TP53 | P04637 | 3/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | DHODH | Q02127 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5739105 | 0.85 | RAB9A (0.68) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL5738406 | 0.85 | ALDH1A1 (0.72) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL5738164 | 0.83 | ALDH1A3 (0.51) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL4506816 | 0.82 | RAB9A (0.56) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL5739101 | 0.82 | RAB9A (0.52) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL5737395 | 0.82 | PPARG (0.61) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL973108 | 0.81 | ALDH1A3 (0.70) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL9082442 | 0.79 | ALDH1A3 (0.68) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL4837433 | 0.79 | ALDH1A1 (1.00) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL5737169 | 0.78 | ALDH1A3 (0.50) | ALDH1A3ALDH1A2ALDH1A1NPC1RAB9A |
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-2022078306-A1 | LARGE STERIC HINDERANCE PALLADIUM-NITROGEN-HETEROCYCLIC CARBENE COMPLEX, PREPARATION METHOD FOR SAME, APPLICATIONS OF SAME, AND SYNTHESIS METHOD FOR SONIDEGIB BASED ON SAME | 中山大学 | 2022-04-21 | — | — | WO | disclosed |