Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 10/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31679834 | 1.00 | PRKDC (0.56) | PRKDCGAAALDH1A1NPC1RAB9A | |
| SCHEMBL24875985 | 0.77 | MMP8 (0.47) | RORC | |
| SCHEMBL17478737 | 0.77 | GAA (0.57) | PRKDCGAAALDH1A1RAB9A | |
| SCHEMBL8346062 | 0.76 | PRKDC (0.63) | PRKDCGAAALDH1A1NPC1RAB9A | |
| SCHEMBL18165108 | 0.76 | CA12 (0.48) | NPC1RAB9ASMN1; SMN2RORC | |
| SCHEMBL632848 | 0.73 | MEN1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL29301634 | 0.73 | MAPT (0.61) | PRKDCNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28997436 | 0.72 | PRKDC (0.53) | PRKDCALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29106346 | 0.72 | ALDH1A1 (0.50) | PRKDCALDH1A1SMN1; SMN2L3MBTL1CD274 | |
| SCHEMBL3542374 | 0.72 | PRKDC (1.00) | PRKDC |
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-2023280970-A1 | INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-01-12 | — | — | WO | disclosed |