Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.65 |
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.58 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8737445 | 1.00 | CASP3 (0.65) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL12431376 | 0.86 | CA12 (0.60) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL19398817 | 0.86 | RPS6KA2 (0.63) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL11167209 | 0.86 | CASP3 (0.67) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL30472950 | 0.85 | CASP3 (0.85) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL326305 | 0.85 | CASP3 (0.85) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL8816419 | 0.85 | CASP3 (0.56) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL9053599 | 0.84 | CASP3 (0.65) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL18668950 | 0.84 | CES2 (0.67) | CASP3CA12CA9CA1CA2 | |
| SCHEMBL12104396 | 0.84 | CA12 (0.65) | CASP3CA12CA9CA1CA2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110627706-B | 2- (4-methylbenzyl) -1H-isoindole-1,3-diketone derivative and synthetic method thereof | 郑州手性药物研究院有限公司 | 2023-02-10 | — | — | CN | claimed |
| CN-110483439-B | Method for synthesizing 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazole-3-one | 郑州手性药物研究院有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-110483497-B | 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazol-3-one intermediate and synthetic method thereof | 郑州手性药物研究院有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-111556871-B | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | H.隆德贝克有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-110746342-B | Preparation method of hydroxy lactam | 南方科技大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-110627706-B | 2- (4-methylbenzyl) -1H-isoindole-1,3-diketone derivative and synthetic method thereof | 郑州手性药物研究院有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-110483439-B | Method for synthesizing 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazole-3-one | 郑州手性药物研究院有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-110483497-B | 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazol-3-one intermediate and synthetic method thereof | 郑州手性药物研究院有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-111465410-B | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-111526890-B | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-110734384-B | Preparation method of hydroxyamide | 南方科技大学 | 2022-09-20 | — | — | CN | disclosed |