Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30999925 | 0.91 | GSK3B (0.42) | GSK3BALDH1A1NOTUMROCK1LMNA | |
| SCHEMBL30999920 | 0.91 | GSK3B (0.45) | GSK3BALDH1A1NOTUMROCK1LMNA | |
| SCHEMBL30999994 | 0.91 | GSK3B (0.45) | GSK3BALDH1A1NOTUMROCK1LMNA | |
| SCHEMBL30999985 | 0.72 | GSK3B (0.81) | GSK3BALDH1A1LMNAPTGS2GSK3A | |
| SCHEMBL13241995 | 0.72 | ROCK1 (0.47) | ALDH1A1NOTUMROCK1LMNAPKM | |
| SCHEMBL22005465 | 0.71 | ROCK1 (0.51) | ALDH1A1NOTUMROCK1LMNAPKM | |
| SCHEMBL7075121 | 0.71 | ROCK1 (0.51) | ALDH1A1NOTUMROCK1LMNAPKM | |
| SCHEMBL5682534 | 0.70 | MAPT (0.47) | GSK3BLMNAPTGS2GSK3A | |
| SCHEMBL94149 | 0.69 | GSK3B (0.58) | GSK3BPTGS2 | |
| SCHEMBL12345961 | 0.68 | ROCK1 (0.49) | ALDH1A1NOTUMROCK1LMNAPKM |
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-2024163852-A1 | HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2024-08-08 | — | — | WO | disclosed |