Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PRKCI | P41743 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | SGK1 | O00141 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 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 | |
|---|---|---|---|---|
| SCHEMBL25187319 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25179894 | 0.78 | ALDH1A1 (0.54) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30374957 | 0.78 | ALDH1A1 (0.54) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25470724 | 0.76 | CCNE2 (0.41) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL29655052 | 0.75 | ALDH1A1 (0.50) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25183258 | 0.72 | ALDH1A1 (0.46) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25191449 | 0.69 | HTR6 (0.48) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| Phthalazinone SCHEMBL30718073 | 0.68 | PARP1 (0.70) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25468321 | 0.67 | ALDH1A1 (0.43) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| Phthalazinone SCHEMBL11516881 | 0.66 | PARP1 (0.96) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 |
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-2023079294-A1 | PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS | SITRYX THERAPEUTICS LIMITED (GB) | 2023-05-11 | — | — | WO | disclosed |