Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29469832 | 0.84 | CA1 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5579618 | 0.84 | CA1 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31411936 | 0.83 | CA1 (0.54) | CA12CA1CA2CA9CA14 | |
| Fluoride SCHEMBL28042437 | 0.82 | CA1 (0.58) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30953901 | 0.81 | CA1 (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11153056 | 0.80 | CA2 (0.50) | CA12CA1CA2CA9CA14 | |
| Cyanide SCHEMBL27784384 | 0.79 | CA1 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1829415 | 0.78 | CA1 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27518574 | 0.78 | CA1 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL10808580 | 0.77 | CA2 (0.52) | CA12CA1CA2CA9CA14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106188115-A | Cheap highly effective synthesizes the new method of 2 borono N diformazan isoxazolyl N methoxy (ethoxy) methyl benzenesulfonamides | 北京理工大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-106188115-A | Cheap highly effective synthesizes the new method of 2 borono N diformazan isoxazolyl N methoxy (ethoxy) methyl benzenesulfonamides | 北京理工大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-106188115-A | Cheap highly effective synthesizes the new method of 2 borono N diformazan isoxazolyl N methoxy (ethoxy) methyl benzenesulfonamides | 北京理工大学 | 2016-12-07 | — | — | CN | disclosed |