Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.68 |
| ▸ | CA9 | Q16790 | 14/20 | 0.68 |
| ▸ | CA1 | P00915 | 14/20 | 0.68 |
| ▸ | CA12 | O43570 | 9/20 | 0.68 |
| ▸ | CDK2 | P24941 | 2/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694894 | 0.81 | CA1 (1.00) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL24804642 | 0.77 | RAB9A (0.52) | — | |
| SCHEMBL11608377 | 0.75 | CA1 (0.58) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL28107398 | 0.74 | SOS1 (0.70) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL15831238 | 0.74 | CA1 (0.74) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL5039688 | 0.73 | CDK2 (0.54) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL2004300 | 0.72 | CA1 (0.69) | CA2CA9CA1CA12CA6 | |
| SCHEMBL27672131 | 0.71 | CA1 (0.56) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL27739424 | 0.70 | CA2 (0.54) | CA2CA9CA1CA12CDK2 | |
| SCHEMBL14264262 | 0.70 | CA1 (0.86) | CA2CA9CA1CA12CA6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115057820-A | Method for synthesizing 4,5-dihydro-6-methylpyridazin-3(2H) -one from levulinic acid | 东莞理工学院 | 2022-09-16 | — | — | CN | disclosed |