Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18878939 | 0.77 | CA2 (0.35) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL3316228 | 0.77 | CHRM2 (0.36) | CHRM5CHRM3ALDH1A1 | |
| SCHEMBL6618922 | 0.74 | CHRM5 (0.37) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL1961976 | 0.74 | CA2 (0.33) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL1961974 | 0.74 | CA2 (0.33) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL1484414 | 0.71 | CA2 (0.38) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL7015140 | 0.71 | SMN1; SMN2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL28856183 | 0.71 | SIGMAR1 (0.34) | CA2CA12CA1CA9CHRM5 | |
| SCHEMBL28218586 | 0.71 | CA2 (0.34) | CA2CA12CA1CA9CHRM5 | |
| Hydrochloric Acid SCHEMBL7932354 | 0.70 | CA2 (0.37) | CA2CA12CA1CA9CHRM5 |
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-107698603-A | Thienopyrimidines, its preparation method, Pharmaceutical composition and its application | 厦门大学 | 2018-02-16 | — | — | CN | claimed |
| CN-107698603-A | Thienopyrimidines, its preparation method, Pharmaceutical composition and its application | 厦门大学 | 2018-02-16 | — | — | CN | disclosed |