Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.39 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.33 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30416172 | 0.82 | CA2 (0.43) | CA2CA12CA1CA9CHKA | |
| SCHEMBL5010747 | 0.81 | ALDH1A1 (0.41) | HSD11B1HPGDALDH1A1 | |
| SCHEMBL30974899 | 0.81 | CA2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3631443 | 0.79 | ALDH1A1 (0.44) | HSD11B1HPGDALDH1A1 | |
| SCHEMBL17560390 | 0.76 | CHRNB2 (0.44) | CA2CA12CA1CA9CHKA | |
| SCHEMBL27480523 | 0.74 | CA2 (0.37) | CA2CA12CA1CA9CHKA | |
| SCHEMBL6721 | 0.74 | CHRNB2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL316937 | 0.74 | CHRNB2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL8103057 | 0.73 | CHRNB2 (0.54) | CA2CA12CA1CA9CHKA | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL4595511 | 0.73 | GAA (0.51) | ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016034134-A1 | HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-03-10 | — | — | WO | disclosed |