Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.48 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17100538 | 0.95 | CA2 (0.56) | CA2CA12CA1CA9CHKA | |
| SCHEMBL15319 | 0.95 | — | — | |
| SCHEMBL6961568 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1408979 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| Water SCHEMBL11193463 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL125486 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| SCHEMBL31040426 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL18116041 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| Ammonia Solution, Strong SCHEMBL4674734 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA | |
| Water SCHEMBL10607939 | 0.92 | CA2 (0.54) | CA2CA12CA1CA9CHKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137510-A | Compound | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-1894226-A | Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use | WYETH CORP (US) | 2007-01-10 | — | — | CN | disclosed |