Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 12/20 | 0.59 |
| ▸ | GSK3A | P49840 | 4/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | STK10 | O94804 | 1/20 | 0.46 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | WEE1 | P30291 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18049421 | 0.83 | GSK3B (0.60) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL934146 | 0.82 | GSK3B (0.65) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL30999908 | 0.82 | GSK3B (0.55) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL18049423 | 0.82 | PTGS2 (0.71) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL11109280 | 0.81 | PTGS2 (0.56) | GSK3BGSK3APTGS2CHEK1WEE1 | |
| SCHEMBL3820693 | 0.81 | GSK3B (0.63) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL4079370 | 0.79 | GSK3B (0.57) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL3819041 | 0.79 | GSK3B (0.56) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL3820556 | 0.78 | GSK3B (0.52) | GSK3BGSK3AADORA2AADORA1BRDT | |
| SCHEMBL3818590 | 0.78 | GSK3B (0.51) | GSK3BGSK3AADORA2AADORA1BRDT |
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 |