Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.42 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691647 | 0.77 | NR1I3 (0.57) | PTGS2TSHRNR1I3MAPTCHEK2 | |
| SCHEMBL7712225 | 0.76 | PTGS2 (0.55) | PTGS2NR1I3MAPTGRIA1TP53 | |
| SCHEMBL7714595 | 0.76 | NR1I3 (0.59) | PTGS2NR1I3MAPTGAA | |
| SCHEMBL22633865 | 0.75 | TSHR (0.52) | PTGS2TSHRNR1I3MAPTCHEK2 | |
| SCHEMBL7712248 | 0.74 | PTGS2 (0.55) | PTGS2TSHRNR1I3MAPTGRIA1 | |
| SCHEMBL7712086 | 0.72 | PTGS2 (0.46) | PTGS2NR1I3MAPTTP53GAA | |
| SCHEMBL3246624 | 0.71 | PTGS2 (1.00) | PTGS2CHEK2RPS6KA3 | |
| SCHEMBL3247750 | 0.71 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL13388493 | 0.68 | RPS6KA3 (0.42) | PTGS2TSHRNR1I3MAPTCHEK2 | |
| SCHEMBL12709770 | 0.68 | RPS6KA3 (0.42) | PTGS2TSHRNR1I3MAPTCHEK2 |
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-2011132048-A1 | HETEROARYL COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICAL S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |