Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA3 | P07451 | 5/20 | 0.37 |
| ▸ | CA4 | P22748 | 5/20 | 0.37 |
| ▸ | CA6 | P23280 | 5/20 | 0.37 |
| ▸ | CA5A | P35218 | 5/20 | 0.37 |
| ▸ | CA7 | P43166 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL3344285 | 0.88 | CA12 (0.40) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3342943 | 0.80 | NNMT (0.37) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3342235 | 0.78 | CA12 (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3468380 | 0.75 | MEN1 (0.34) | KMT2AMAPTALDH1A1NPSR1POLB | |
| SCHEMBL3467567 | 0.74 | KDM4E (0.32) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3342131 | 0.73 | P2RX7 (0.37) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3339243 | 0.73 | CA12 (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3339247 | 0.72 | CA1 (0.41) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3339250 | 0.72 | DGAT1 (0.47) | CA12CA1CA2CA3CA4 | |
| SCHEMBL16644420 | 0.71 | DGAT1 (0.46) | CA12CA1CA2CA3CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |