Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5820987 | 0.83 | ALDH1A1 (0.42) | ALDH1A1POLBL3MBTL1DHFRMAPT | |
| SCHEMBL5821021 | 0.82 | MAT2A (0.33) | ALDH1A1MAPTMAP2K3MAPK14MAT2A | |
| SCHEMBL5820890 | 0.69 | ALDH1A1 (0.41) | ALDH1A1POLBL3MBTL1DHFRMAPT | |
| SCHEMBL14223774 | 0.66 | L3MBTL1 (0.40) | ALDH1A1POLBL3MBTL1MAPTKDM4E | |
| SCHEMBL4859642 | 0.65 | USP2 (0.38) | ALDH1A1POLBL3MBTL1MAPTKDM4E | |
| SCHEMBL14193786 | 0.63 | PTGS2 (0.42) | CA1CA2 | |
| SCHEMBL5818149 | 0.62 | ESR1 (0.34) | ALDH1A1POLBL3MBTL1MAPTKDM4E | |
| SCHEMBL14193788 | 0.62 | PTGS2 (0.46) | — | |
| SCHEMBL22414296 | 0.62 | ALDH1A1 (0.42) | ALDH1A1POLBL3MBTL1DHFRMAPT | |
| SCHEMBL2949931 | 0.61 | RAB9A (0.50) | ALDH1A1L3MBTL1MAPTGAAKMT2A |
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-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | disclosed |