Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29360658 | 0.84 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL654773 | 0.82 | CA1 (0.58) | ATAD2CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL9494959 | 0.80 | CA1 (0.56) | ATAD2CA12CA1CA2CA7 | |
| SCHEMBL4583211 | 0.78 | LMNA (0.62) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL111187 | 0.77 | CA12 (0.58) | ATAD2CA12CA1CA2CA7 | |
| SCHEMBL1278720 | 0.77 | NPC1 (0.68) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL8066989 | 0.77 | NPC1 (0.41) | NPC1ATAD2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL111186 | 0.76 | CA12 (0.56) | ATAD2CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL9156219 | 0.75 | NPC1 (0.66) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL27546115 | 0.75 | NPC1 (0.40) | NPC1ATAD2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7504410-B2 | Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |