Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.59 |
| ▸ | PARP1 | P09874 | 5/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.56 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | FURIN | P09958 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11791484 | 0.89 | HDAC8 (0.79) | HDAC8HDAC6KDM4EEGLN2HDAC1 | |
| Methane SCHEMBL688609 | 0.87 | PARP1 (0.70) | PARP1HSD17B10FURIN | |
| SCHEMBL31021028 | 0.84 | PARP1 (0.73) | PARP1HSD17B10FURIN | |
| SCHEMBL36694 | 0.84 | PARP1 (0.73) | PARP1HSD17B10FURIN | |
| SCHEMBL18448812 | 0.83 | ALDH1A1 (0.66) | KDM4EPARP1HSD17B10FURIN | |
| Hydrochloric Acid SCHEMBL1367509 | 0.82 | PARP1 (0.70) | PARP1HSD17B10FURIN | |
| Water SCHEMBL7768285 | 0.82 | PARP1 (0.70) | PARP1HSD17B10FURIN | |
| Ammonia Solution, Strong SCHEMBL9121446 | 0.82 | PARP1 (0.70) | PARP1HSD17B10FURIN | |
| SCHEMBL39965 | 0.82 | HDAC8 (0.69) | HDAC8HDAC6PARP1HSD17B10FURIN | |
| SCHEMBL29350858 | 0.82 | HDAC8 (0.69) | HDAC8HDAC6PARP1HSD17B10FURIN |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116903581-A | SHP2/HDAC double-target inhibitor and preparation method and application thereof | 山东大学 | 2023-10-20 | — | — | CN | claimed |
| CN-115521228-B | BChE and HDAC double-target inhibitor and preparation method and application thereof | 中国药科大学 | 2023-08-22 | — | — | CN | claimed |
| CN-116903581-A | SHP2/HDAC double-target inhibitor and preparation method and application thereof | 山东大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115521228-B | BChE and HDAC double-target inhibitor and preparation method and application thereof | 中国药科大学 | 2023-08-22 | — | — | CN | disclosed |
| EP-1178969-B1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | BLACK JAMES FOUNDATION (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |
| EP-1178969-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000027823-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2000-05-18 | — | — | WO | disclosed |