Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | PRKCH | P24723 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6702892 | 0.83 | PTGS2 (0.59) | PTGS2GSK3BSENP1PRKD3EGFR | |
| SCHEMBL11270084 | 0.80 | PTGS2 (0.61) | PTGS2GSK3BBCL2L1 | |
| SCHEMBL8464958 | 0.80 | PTGS2 (0.43) | PTGS2GSK3BSENP1MAPTMEN1 | |
| SCHEMBL187764 | 0.79 | PTGS2 (0.61) | PTGS2GSK3B | |
| SCHEMBL11269286 | 0.78 | PTGS2 (0.42) | PTGS2GSK3BSENP1MAPTMEN1 | |
| SCHEMBL30999932 | 0.76 | PTGS2 (0.42) | PTGS2GSK3BMAPTMEN1PRKD3 | |
| Hydrochloric Acid SCHEMBL30999924 | 0.74 | MAPT (0.47) | PTGS2GSK3BCHEK1WEE1MAPT | |
| SCHEMBL12424865 | 0.72 | MAPT (0.41) | ERCC1ERCC4MAPTMEN1PRKD3 | |
| SCHEMBL11112347 | 0.72 | GSK3B (0.49) | PTGS2GSK3BEGFRGSK3A | |
| SCHEMBL18973127 | 0.72 | MAPT (0.39) | ERCC1ERCC4MAPTMEN1KMT2A |
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 |