Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 12/20 | 0.45 |
| ▸ | CA1 | P00915 | 12/20 | 0.45 |
| ▸ | CA2 | P00918 | 12/20 | 0.45 |
| ▸ | CA9 | Q16790 | 12/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700040 | 0.79 | TYR (0.58) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11504712 | 0.78 | AKR1B1 (0.50) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11636925 | 0.78 | AKR1B1 (0.50) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11504689 | 0.78 | AKR1B1 (0.50) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11504046 | 0.78 | AKR1B1 (0.50) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL9705983 | 0.76 | AKR1B1 (0.49) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11504096 | 0.76 | AKR1B1 (0.39) | AKR1B1CA12CA9KDM4EALDH1A1 | |
| SCHEMBL11503807 | 0.74 | AKR1B1 (0.46) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11638776 | 0.74 | AKR1B1 (0.46) | AKR1B1CA12CA1CA2CA9 | |
| SCHEMBL11503606 | 0.73 | CA12 (0.45) | AKR1B1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4153693-A | 1,4-Dihydro-4-oxo-pyridylacetamido cephalosporins and their utilization as medicinal agents for combating bacterial infections | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-05-08 | — | — | US | disclosed |