Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30022461 | 0.86 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4214499 | 0.86 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9799731 | 0.84 | CA4 (0.35) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3950311 | 0.82 | SMN1; SMN2 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5027103 | 0.80 | IRAK4 (0.40) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8768302 | 0.80 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29031247 | 0.78 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10570482 | 0.78 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1420532 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29984649 | 0.77 | ALDH1A1 (0.61) | CA1CA2CA7CA9CA12 |
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-116396313-A | Alkenyl borate, and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | claimed |
| CN-103951685-A | New beta-diketone rare earth organic complex and its preparation method | UNIV HUIZHOU | 2014-07-30 | — | — | CN | claimed |
| EP-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | claimed |
| EP-0034743-B1 | BENZOXAZOLES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1984-05-30 | — | — | EP | claimed |
| CN-115583874-B | Method for catalyzing asymmetric tandem reaction of internal alkyne by rhodium metal | 南京林业大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-114181028-B | Preparation method of phenylacetylene | 山东博苑医药化学股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-116396313-A | Alkenyl borate, and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | disclosed |
| CN-115583874-A | Method for catalyzing asymmetric series reaction of internal alkyne by using metal rhodium | 南京林业大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-114181028-A | Preparation method of phenylacetylene | 山东博苑医药化学股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112079776-A | Light-induced crystallized isoquinoline salt compound, preparation method and application thereof, and preparation method of nanocrystal | 华南理工大学 | 2020-12-15 | — | — | CN | disclosed |
| CN-103951685-A | New beta-diketone rare earth organic complex and its preparation method | UNIV HUIZHOU | 2014-07-30 | — | — | CN | disclosed |