Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23857385 | 1.00 | STK17B (0.39) | STK17BSTK17ACA12CA1CA2 | |
| SCHEMBL30406809 | 0.89 | CA12 (0.39) | STK17BSTK17ACA12CA1CA2 | |
| SCHEMBL23871636 | 0.89 | CA12 (0.39) | STK17BSTK17ACA12CA1CA2 | |
| Lithium Ion SCHEMBL30253157 | 0.88 | CA12 (0.38) | STK17BSTK17ACA12CA1CA2 | |
| SCHEMBL23871671 | 0.85 | STK17B (0.38) | STK17BSTK17ACA12CA1CA2 | |
| SCHEMBL30046636 | 0.85 | STK17B (0.38) | STK17BSTK17ACA12CA1CA2 | |
| SCHEMBL23857243 | 0.81 | PPIA (0.31) | ACACBACACA | |
| SCHEMBL30253187 | 0.81 | PPIA (0.31) | ACACBACACA | |
| SCHEMBL23856868 | 0.76 | PTGER4 (0.31) | — | |
| SCHEMBL22917487 | 0.74 | STK17B (0.49) | STK17BSTK17ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |