Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.69 |
| ▸ | GSK3A | P49840 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.37 |
| ▸ | STK10 | O94804 | 1/20 | 0.36 |
| ▸ | SLK | Q9H2G2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30999926 | 0.89 | GSK3B (0.69) | GSK3BGSK3ASRD5A1ROCK1PTGS2 | |
| SCHEMBL30999936 | 0.89 | GSK3B (0.76) | GSK3BGSK3ASRD5A1 | |
| SCHEMBL30999985 | 0.70 | GSK3B (0.81) | GSK3BGSK3ASRD5A1PTGS2 | |
| SCHEMBL30999951 | 0.69 | GSK3B (1.00) | GSK3BGSK3ASRD5A1PTGS2 | |
| SCHEMBL3677953 | 0.65 | GSK3B (0.60) | GSK3BGSK3APTGS2STK10SLK | |
| SCHEMBL7984550 | 0.65 | NOTUM (0.60) | ESR1ESR2ROCK1NOTUMBIRC2 | |
| SCHEMBL9065257 | 0.65 | PTGS2 (0.61) | GSK3BGSK3AESR1ESR2PTGS2 | |
| SCHEMBL22954264 | 0.65 | ESR2 (0.58) | GSK3BGSK3AESR1ESR2PTGS2 | |
| SCHEMBL28080907 | 0.65 | PTGS2 (0.72) | GSK3BGSK3APTGS2 | |
| SCHEMBL30999966 | 0.65 | GSK3B (0.74) | GSK3BGSK3ASRD5A1ROCK1NOTUM |
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 2 patents. 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 | claimed |
| WO-2024163852-A1 | HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2024-08-08 | — | — | WO | disclosed |