Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.43 |
| ▸ | CA2 | P00918 | 9/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23857378 | 1.00 | CA1 (0.43) | CA1CA2CA12CA9ACACB | |
| SCHEMBL30406809 | 0.83 | CA12 (0.39) | CA1CA2CA12CA9ACACB | |
| SCHEMBL23871636 | 0.83 | CA12 (0.39) | CA1CA2CA12CA9ACACB | |
| Lithium Ion SCHEMBL30253157 | 0.82 | CA12 (0.38) | CA1CA2CA12CA9ACACB | |
| SCHEMBL28908690 | 0.81 | F2 (0.31) | — | |
| SCHEMBL30047517 | 0.76 | CA12 (0.38) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL23857034 | 0.76 | CA12 (0.38) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL791306 | 0.75 | CA2 (0.56) | CA1CA2CA12CA9CCNC | |
| SCHEMBL487585 | 0.73 | CA1 (0.59) | CA1CA2CA12CA9CCNC | |
| SCHEMBL23857385 | 0.72 | STK17B (0.39) | CA1CA2CA12CA9ACACB |
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 |